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

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

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chemical compound

Attributes	Values
rdf:type	Item
description	composto chimico (it) химическое соединение (ru) chemical compound (en) composé chimique (fr) תרכובת (he) kemisk forbindelse (da) compositum chemicum (la) chemische Verbindung (de) քիմիական միացություն (hy) chemická sloučenina (cs) chemická zlúčenina (sk) chemische verbinding (nl) kemia kombinaĵo (eo) związek chemiczny (pl) chemical compound (en-ca) chemical compound (en-gb) chemiese verbinding (af) chemische Verbindung (de-ch) component quimic (oc) compost químic (ca) composto químico (gl) composto químico (pt) composto químico (pt-br) compuesto quimico (an) compuestu químicu (ast) compus chimic (ro) kemiallinen yhdiste (fi) kjemisk forbindelse (nb) kjemisk sambinding (nn) komponim kimik (sq) konposatu kimiko (eu) senyawa kimia (id) ķīmisks savienojums (lv) хімічна сполука (uk) مركب كيميائي (ar) রাসায়নিক যৌগ (bn) compuesto químico (es) payvastagii khimiyaviy (tg-latn) пайвастагии химиявӣ (tg-cyrl) chemesch Verbindung (lb)
rdfs:label	(3S,5S,9R,10S,13R,14R,17R)-17-[(E,2S,5R)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol (en)
skos:prefLabel	(3S,5S,9R,10S,13R,14R,17R)-17-[(E,2S,5R)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol (en)
name	(3S,5S,9R,10S,13R,14R,17R)-17-[(E,2S,5R)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol (en)
isomeric SMILES	wds:Q105137629-26215AD7-82DD-41A0-986C-BA12547D793B
stereoisomer of	wds:Q105137629-122D1165-D8FB-4B66-A908-F6C6CA700850 wds:Q105137629-4BD0827D-BA31-4327-B001-F049005FB3A2 wds:Q105137629-4EED5B38-3DE9-42E2-ADF8-B0A81015139B wds:Q105137629-68B2C329-DCEE-4D6B-9A3C-A811ACDBBF63 wds:Q105137629-6BBC22F9-C8DA-45D4-B716-45EB173C2E90 wds:Q105137629-6FFD65C7-5CE5-4E81-AE36-E5277AC7E607 wds:Q105137629-77D96EA8-00E3-4CB7-875C-13C7E029C91D wds:Q105137629-8573D43F-7B41-410A-B3D2-534258A35C1B wds:Q105137629-92978101-6CF0-496B-A556-5D7C3260C97A wds:Q105137629-AAC3403C-9F08-4837-9663-CD3DEC2AEF3B wds:Q105137629-AE4A3000-BB2F-47B6-A196-4E11B34A012F wds:Q105137629-B1D47EDA-BBDE-41A7-A6EB-924B29A3FA5A wds:Q105137629-C18EEB87-4E62-405A-96F7-CE07405F6842 wds:Q105137629-C231A931-DBEC-4054-96ED-F2AFB6EC800B wds:Q105137629-CD45BBD7-110D-44A9-B5B5-96749D700276 wds:Q105137629-EA60E8F4-CA57-4D95-A865-3B56E9B05B53 wds:Q105137629-FAF9A4FA-4A02-42E3-9EBC-FF7DE761C5BF
isomeric SMILES	CC[C@@H](/C=C/[C@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C
stereoisomer of	α-spinasterin (3R,5S,9S,10R,13S,14R,17S)-17-[(E,2S,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol (3S,5S,9S,10S,13R,14R,17R)-17-[(E,2S,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol (3S,5R,9R,10S,13R,14R,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol (3S,5S,9R,10S,13R,14R,17R)-17-[(E,2S,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol (3S,5S,9R,10S,13R,14R,17R)-17-[(Z,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol (3S,5R,9R,10S,13R,14R,17R)-17-[(E,2S,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol (3R,5R,9R,10S,13R,14R,17R)-17-[(E,2R,5R)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol (3S,5S,9S,10S,13R,14R,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol (3R,5S,9S,10S,13S,14R,17S)-17-[(Z,2S,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol (3R,5S,9S,10S,13S,14R,17S)-17-[(E,2S,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol (3R,5S,9R,10S,13R,14R,17R)-17-[(E,2R,5R)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol (3S,5R,9R,10S,13R,14R,17R)-17-[(E,2R,5R)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol (3S,5S,9S,10S,13R,14R,17R)-17-[(Z,2S,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol (3S,5R,9R,10S,13R,14R,17R)-17-[(Z,2S,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol (3R,5S,9S,10R,13S,14R,17S)-17-[(Z,2S,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol chondrillasterol
instance of	wds:Q105137629-62CBD749-07BC-473C-8469-753FB0E4A97E
instance of	type of chemical entity
subclass of	wds:Q105137629-1D2916EC-C402-4D31-B1AB-05C57A0F507F wds:Q105137629-23439C3D-A448-4FF1-B79E-B1ED69B32DE9 wds:Q105137629-B371EBC9-487F-41DB-91E9-61E34428978C
subclass of	17-(5-ethyl-6-methylhept-3-en-2-yl)-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol (5S,9S,10S,13R,14R)-17-(5-ethyl-6-methylhept-3-en-2-yl)-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol chondrillasterol
found in taxon	wds:Q105137629-752FBCA1-6A85-4594-A3E9-D988FAD0DB92 wds:Q105137629-CD8A6023-1164-4B9B-8FDB-380B317CC827
found in taxon	Chondrilla nucula Scenedesmus acutus var. acutus
canonical SMILES	wds:Q105137629-8EEE1CB8-4FEA-40D2-814C-DCC531079887
InChI	wds:Q105137629-3C4B1073-93DE-4566-B80D-794DC990B31B
InChIKey	wds:Q105137629-47B55B6D-9E89-445F-B284-3C20E8050A8C
chemical formula	wds:Q105137629-2F474DE7-99EA-4745-B4EC-881B19A38FE0
PubChem CID	wds:Q105137629-9E93F189-E002-4206-9B7D-FC440E4B5851
PubChem CID	http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID162958797
canonical SMILES	OC1CCC2(C)C3C(=CCC2C1)C4CCC(C(C=CC(CC)C(C)C)C)C4(C)CC3
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/h8-9,11,19-23,25-27,30H,7,10,12-18H2,1-6H3/b9-8+/t20-,21-,22-,23-,25+,26-,27-,28-,29+/m0/s1

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