CHEBI:143739 - 3β-stigmastan-3-ol

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 3β-stigmastan-3-ol
ChEBI ID CHEBI:143739
ChEBI ASCII Name 3beta-stigmastan-3-ol
Stars This entity has been manually annotated by a third party.
Submitter Mark Williams
Supplier Information
Download Molfile XML SDF
Formula C29H52O
Net Charge 0
Average Mass 416.724
Monoisotopic Mass 416.402
InChI InChI=1S/C29H52O/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/h19-27,30H,7-18H2,1-6H3/t20?,21?,22?,23-,24?,25?,26?,27?,28?,29?/m0/s1
InChIKey LGJMUZUPVCAVPU-BYKIICAPSA-N
SMILES O[C@@H]1CC2C(C3C(C4C(C(C(CCC(C(C)C)CC)C)CC4)(C)CC3)CC2)(C)CC1
Metabolite of Species Details
Bathymodiolus (NCBI:txid12965) Found in gill filament {BTO:0002150 See: MetaboLights Study
ChEBI Ontology
Outgoing 3β-stigmastan-3-ol (CHEBI:143739) has parent hydride stigmastane (CHEBI:26773)
3β-stigmastan-3-ol (CHEBI:143739) is a steroid (CHEBI:35341)
Synonym Source
(3S)-17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol ChEBI
Last Modified
17 September 2021