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CHEBI:143739 - 3β-stigmastan-3-ol

ChEBI IDCHEBI:143739
ChEBI Name3β-stigmastan-3-ol
Stars
ASCII Name3beta-stigmastan-3-ol
Last Modified17 September 2021
Submittermwilliams
DownloadsMolfile
FormulaC29H52O
Net Charge0
Average Mass416.734
Monoisotopic Mass416.40182
SMILESCCC(CCC(C)C1CCC2C3CCC4C[C@@H](O)CCC4(C)C3CCC12C)C(C)C
InChIInChI=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
InChIKeyLGJMUZUPVCAVPU-BYKIICAPSA-N
Species of MetaboliteComponentSourceComments
Bathymodiolus (ncbitaxon:12965) gill filament (BTO:0002150) MetaboLights (MTBLS746)
ChEBI Ontology
Outgoing Relation(s)
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-olChEBI