About: (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

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About: (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 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	(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 (en)
skos:prefLabel	(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 (en)
name	(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 (en)
isomeric SMILES	wds:Q105026195-03CCB09E-F6E7-42CB-907E-1C3755F48E7C
stereoisomer of	wds:Q105026195-02512D17-082F-4C19-A226-407DAF2E2F35 wds:Q105026195-13F7713C-2EA1-45B5-8A94-81ED475FD039 wds:Q105026195-17BBAA85-2829-483C-94FD-76A55696502C wds:Q105026195-2D62CF39-9077-43CB-B1F5-E686D1F7176B wds:Q105026195-34D45883-2A90-437C-AE5C-03105AC2E656 wds:Q105026195-5137B350-9B28-48C6-8BC8-2AA172857469 wds:Q105026195-65B8A9E3-6450-4923-9AF6-97A70DF809BE wds:Q105026195-73D5504C-37C0-4B3C-A123-377EE65BB712 wds:Q105026195-823CEB6E-B71C-45FA-85C1-3F62215FC4AF wds:Q105026195-8D415D6A-B0D4-4469-910B-1DAF79B2925A wds:Q105026195-A24166BA-9CDE-456A-84F9-FE19925EF1EC wds:Q105026195-CB1592D6-EF2D-46A2-AA01-6AB575AF0A0A wds:Q105026195-DF048D6A-E0F0-47CE-88F5-93348FABBC8E wds:Q105026195-E568A96D-6570-4DEB-ACA2-1382E7E79E1C wds:Q105026195-F438BCD0-E964-411A-9F4E-F21E76A3515A
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,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 (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:Q105026195-B7BD947A-BFCC-4433-862D-B84FB4688378
instance of	type of chemical entity
subclass of	wds:Q105026195-BB49E277-3722-4854-9B59-8B598A2853D0 wds:Q105026195-EF03DBEC-BDC6-425D-8BC9-BF4DD5D08622
subclass of	stigmasterol (3-β)-stigmasta-5,22-dien-3-ol
found in taxon	wds:Q105026195-2BCAA314-3637-4FA6-9B13-E517AA81D3CA wds:Q105026195-8423A48D-839E-4186-888D-D14BADD950BE wds:Q105026195-BA740966-A831-40AA-9F39-94B90B54B2EE
found in taxon	Centipeda minima Eleutherococcus trifoliatus Panax trifoliatus
canonical SMILES	wds:Q105026195-96DE6CA3-8F3A-4A57-A27D-CAD7C20ED37E
InChI	wds:Q105026195-D49C0D8F-11B8-427E-A747-EC0A28823BD7
InChIKey	wds:Q105026195-E0A9940D-94E5-4346-A04D-03931AE72F12
chemical formula	wds:Q105026195-CE5AAE8E-59A3-4682-B4D9-E19223ED03CF
PubChem CID	wds:Q105026195-3BF9D3E1-B251-4AE8-BE29-DDD00D5A58AD
PubChem CID	http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID163081981
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-XODOBFCDSA-N
chemical formula	C₂₉H₄₈O
PubChem CID	163081981
mass	wds:Q105026195-F594DFDE-1436-42F0-8521-90EAFD7B20B9

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