About: (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

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About: (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 Goto Sponge Distinct Permalink

An Entity of Type : wikibase:Item, within Data Space : wikidata.demo.openlinksw.com associated with source document(s)

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,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 (en)
skos:prefLabel	(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 (en)
name	(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 (en)
isomeric SMILES	wds:Q105026076-FB658038-2994-4042-B10E-5EB7095636A3
stereoisomer of	wds:Q105026076-049BE134-2E20-4744-AE51-96E8E2164E18 wds:Q105026076-07689EE9-964A-44E4-BF98-DD67DDA2EDAC wds:Q105026076-473B5797-F473-4435-A37F-168C2221DE94 wds:Q105026076-6201B971-3A5B-4921-B2E2-67035FB63EC1 wds:Q105026076-72833FDD-1809-4620-91F7-C97F5C2F7420 wds:Q105026076-797F3C65-8F9C-4276-B977-D0EBC2AD8A16 wds:Q105026076-7C29B99D-8A1D-4B3C-B92E-37029B688444 wds:Q105026076-8C6388FA-24E9-4093-A27D-CCDC1C83BC6D wds:Q105026076-913A9E38-B7FF-449D-9F70-468CFD21D550 wds:Q105026076-927B6821-89CB-4C37-AD38-531FDA2D4339 wds:Q105026076-A86CA42A-06AC-4A92-ACE7-A32DA6DB58A2 wds:Q105026076-CF0A75F4-28E3-4F46-8B98-42D94F55F4FB wds:Q105026076-DD49E6AB-5D7D-447E-9827-E74522CEA4FF wds:Q105026076-F96630EF-1CD4-4335-8B81-95147801269D wds:Q105026076-FFDCEAC8-EAA1-4100-A8B4-93318A959D14
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@@]12C)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,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 (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:Q105026076-DE5982B1-A6F1-493E-A8A5-F8D550ADAAD4
instance of	type of chemical entity
subclass of	wds:Q105026076-48A1FB23-54C8-4C41-A1CE-6730B28BDAC9 wds:Q105026076-9EC299A7-8E9A-4F02-A421-7482EA612E49
subclass of	stigmasterol (3-β)-stigmasta-5,22-dien-3-ol
found in taxon	wds:Q105026076-42710CB0-345A-4256-9C14-9C76E72F3C5D wds:Q105026076-42AAF42D-6741-456D-9345-BA86F5BDAAF1 wds:Q105026076-4CA2F3BD-C25E-4334-B7B4-89627F3AB678 wds:Q105026076-5FFE9D8A-9263-49EA-B8F9-A2BE0FDE3455 wds:Q105026076-8032DB3E-E5A6-49DA-B89E-0CE1C625A480 wds:Q105026076-8133027D-9305-4B6F-8C46-7A8AC5CE4AEB wds:Q105026076-980FBFA1-40A5-4E4E-A5E3-738330A0E7F6 wds:Q105026076-A979D2DA-DB92-4F83-ACCF-8693D34C8DB4 wds:Q105026076-B11ABA72-7199-4627-AB79-A66CBB5725CC wds:Q105026076-BF98FEF0-0686-4A89-BB66-BE87FC7FB28D wds:Q105026076-C72A0F73-F24C-427C-9579-972813B9E0B6 wds:Q105026076-CDB4F668-03A7-4B00-B322-AC429E49AA43 wds:Q105026076-D69844DD-10EA-4861-864E-D11D7857F6EE wds:Q105026076-EAC488AC-1F11-49B8-9D64-A4736214E083 wds:Q105026076-F572BDA3-169F-4C71-96FC-D5C6955B88C1 wds:Q105026076-FB701029-05F1-414D-AFE6-52E44B2975F8 wds:Q105026076-FD56B74A-7228-44EC-9E56-4DCBF3C8F3DC
found in taxon	Sambucus nigra Yucca glauca Adenia cissampeloides Madhuca longifolia Hypholoma fasciculare Haplopappus foliosus Senna spectabilis Abrus precatorius Rubus fruticosus Rubus plicatus Hibiscus sabdariffa Rubus cochinchinensis Ochromonas danica Euphorbia indica Ochromonas malhamensis Tricholepis glaberrima Strychnos dolichothyrsa
canonical SMILES	wds:Q105026076-A419CC2E-9346-4076-B8D2-89A9F52C3B60
InChI	wds:Q105026076-C2CB699B-0604-40E3-89E7-75A2E23A0DBE
InChIKey	wds:Q105026076-BC24C091-2DA3-4905-9372-3B70D186BCB3
chemical formula	wds:Q105026076-49BE652C-78B3-4CB4-B911-063A430E6B5F
PubChem CID	wds:Q105026076-0CA90BA1-24C9-44ED-8903-A1C95EE6A5A6
PubChem CID	http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID163081991
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-KUPQIHGYSA-N
chemical formula	C₂₉H₄₈O
PubChem CID	163081991
mass	wds:Q105026076-5A43541A-3479-4522-9CDF-91809805BEB4
mass	412.370516156 (xsd:decimal)
is about of	https://www.wikidata.org/wiki/Special:EntityData/Q105026076
is stereoisomer of of	stigmasterol

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