About: (3S,8S,9S,10R,13R,14S,17R)-17-[(E,2S,5R)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

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About: (3S,8S,9S,10R,13R,14S,17R)-17-[(E,2S,5R)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol Goto Sponge NotDistinct Permalink

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chemical compound

Attributes	Values
rdf:type	Item
description	химическое соединение (ru) chemical compound (en) composé chimique (fr) compositum chemicum (la) chemische Verbindung (de) chemische verbinding (nl) compuestu químicu (ast) хімічна сполука (uk) রাসায়নিক যৌগ (bn)
rdfs:label	(3S,8S,9S,10R,13R,14S,17R)-17-[(E,2S,5R)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol (en)
skos:prefLabel	(3S,8S,9S,10R,13R,14S,17R)-17-[(E,2S,5R)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol (en)
name	(3S,8S,9S,10R,13R,14S,17R)-17-[(E,2S,5R)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol (en)
isomeric SMILES	wds:Q105026063-3E01BFA5-45A9-4E0E-8BCA-BBE7B11A9A0A
stereoisomer of	wds:Q105026063-279060E8-C0B0-4696-98B2-BB424B5DAE9F wds:Q105026063-284241B9-484E-4B4B-A346-28BDF1DE9D8C wds:Q105026063-28EA14AA-A23F-43E6-B19A-9B41BEEAB446 wds:Q105026063-36C2193F-65A1-46B2-AF9D-C7D0D24B8CCA wds:Q105026063-486D6998-1FEC-4676-B51C-F4E0536E6990 wds:Q105026063-4C2E6A21-080E-4264-BEC7-8D0C465BF0AC wds:Q105026063-6C7D98A2-325E-48A9-BC2B-BA2BAC004539 wds:Q105026063-6EAF5861-3605-42B2-A41B-FE011358D41B wds:Q105026063-774368DB-21E9-4CA4-8272-62FEAF794BAA wds:Q105026063-A6A2EE1A-E95A-446C-900A-881DF8691236 wds:Q105026063-BFDDCE78-3DDB-444F-AB3E-42060803B88E wds:Q105026063-DCE9978A-EBC5-4A0D-8331-65A4865C7C33 wds:Q105026063-DDC493CF-CB7F-4FF0-B4BE-C2DE2EEED352 wds:Q105026063-E33BB60E-77BA-46D0-8A9B-0DB64267FDB8 wds:Q105026063-FAD6DC10-F6AD-4A52-8690-135E83EF10BA
isomeric SMILES	CC[C@@H](/C=C/[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C
stereoisomer of	stigmasterol (3S,8S,9S,10R,13R,14S,17R)-17-[(E,2S,5S)-5-Ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol Poriferasterol (3S,8R,9R,10R,13R,14R,17R)-17-[(E,2S,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol (3S,8S,9S,10R,13R,14S,17R)-17-[(Z,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol (3S,8S,9S,10R,13R,14S,17S)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol (3S,8R,9R,10R,13R,14R,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol (3S,8S,9S,10R,13R,14S,17R)-17-[(Z,2R,5R)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol (3S,8S,9R,10R,13S,14S,17S)-17-[(E,2S,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol (3S,8S,9S,10R,13R,14S,17S)-17-[(Z,2S,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol (3S,8R,9R,10R,13R,14R,17R)-17-[(E,2R,5R)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol (3S,8R,9R,10R,13R,14R,17R)-17-[(Z,2S,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol (3S,8R,9S,10R,13R,14S,17S)-17-[(E,2S,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol (3R,8R,9R,10S,13R,14R,17R)-17-[(Z,2S,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol (3S,8S,9S,10R,13R,14S,17S)-17-[(E,2S,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
instance of	wds:Q105026063-01F0C951-3156-4015-9EDF-46AC84978A4B
instance of	type of chemical entity
subclass of	wds:Q105026063-408BC661-2B69-4982-ADBC-E491E9392856 wds:Q105026063-77037D86-7EC6-41BA-A707-A75B987B3369
subclass of	stigmasterol (3-β)-stigmasta-5,22-dien-3-ol
found in taxon	wds:Q105026063-84AC892F-5AED-4006-A2EC-57E21871760C wds:Q105026063-D9D00002-7113-42A0-A683-F99BE098E15C
found in taxon	Schefflera arboricola Cliona celata
UniChem compound ID	wds:Q105026063-8ECFDEBF-BC2F-401F-8896-985D62095CE7
canonical SMILES	wds:Q105026063-E8345ACF-B76B-4D02-A0F4-642734DD7D01
InChI	wds:Q105026063-3CF88F11-A6E2-4369-84D7-9400F12274B5
InChIKey	wds:Q105026063-C0CFFE94-4B03-4550-BDD9-33FA4CF263F3
chemical formula	wds:Q105026063-5EF1D8E6-F16B-4868-A7EF-7E97A68C6F59
PubChem CID	wds:Q105026063-BD6D579A-0957-41D4-A68E-0C7F2F438EDB
PubChem CID	http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID12132805
UniChem compound ID	103062679
canonical SMILES	OC1CC2=CCC3C(CCC4(C)C(CCC34)C(C=CC(CC)C(C)C)C)C2(C)CC1
InChI	InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-10,19-21,23-27,30H,7,11-18H2,1-6H3/b9-8+/t20-,21-,23-,24-,25+,26-,27-,28-,29+/m0/s1
InChIKey	HCXVJBMSMIARIN-JIABODFNSA-N
chemical formula	C₂₉H₄₈O
PubChem CID	12132805
mass	wds:Q105026063-8AFF2180-50D5-4A26-91C6-CD0CD6FB23C5
mass	412.370516156 (xsd:decimal)
is about of	https://www.wikidata.org/wiki/Special:EntityData/Q105026063
is stereoisomer of of	stigmasterol (3S,8S,9S,10R,13R,14S,17R)-17-[(E,2S,5S)-5-Ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol Poriferasterol (3S,8R,9R,10R,13R,14R,17R)-17-[(E,2S,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol (3S,8S,9S,10R,13R,14S,17R)-17-[(Z,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol (3S,8S,9S,10R,13R,14S,17S)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol (3S,8R,9R,10R,13R,14R,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol (3S,8S,9S,10R,13R,14S,17R)-17-[(Z,2R,5R)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol (3S,8S,9R,10R,13S,14S,17S)-17-[(E,2S,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol (3S,8S,9S,10R,13R,14S,17S)-17-[(Z,2S,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol (3S,8R,9R,10R,13R,14R,17R)-17-[(E,2R,5R)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol (3S,8R,9R,10R,13R,14R,17R)-17-[(Z,2S,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol (3S,8R,9S,10R,13R,14S,17S)-17-[(E,2S,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol (3R,8R,9R,10S,13R,14R,17R)-17-[(Z,2S,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol (3S,8S,9S,10R,13R,14S,17S)-17-[(E,2S,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
is stereoisomer of of	wds:Q105026059-03BF4390-A98F-4AD5-8E10-1FE2DEDE1D79 wds:Q105026196-6108933E-C637-46BE-A027-DCE7B785A149 wds:Q105026047-6BEE3712-5F7E-4F89-9AAC-878ED6104817 wds:Q105026195-5137B350-9B28-48C6-8BC8-2AA172857469 wds:Q105026078-FDA5C8C6-5C4C-4BED-902B-0511B1E6C3FD wds:Q105026083-41D24F46-4244-49B9-8B01-91400F93E2B3 wds:Q105026077-8968EFE5-5B33-4C4C-A694-BB614E04C79F wds:Q105026190-57BF1F96-3FFA-43F3-8593-06B9F2EFAADE wds:Q105026192-DA458D71-A891-482C-82B7-E0CA0309AA37 wds:Q105026193-10D0456F-60B9-4747-8AD6-4C9784DDC6C5 wds:Q425004-7740BC49-430B-4113-BC6C-B01A9CD99FD0 wds:Q27108047-F0555E68-E60C-4840-A70B-97217C34F936 wds:Q105026060-A09D4943-4925-4467-8F1B-26CFF470407C wds:Q105026076-FFDCEAC8-EAA1-4100-A8B4-93318A959D14

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