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CHEBI:193418 - 23,24-dihydro-5alpha-calystanol

ChEBI IDCHEBI:193418
ChEBI Name23,24-dihydro-5alpha-calystanol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H50O
Net Charge0
Average Mass414.718
Monoisotopic Mass414.38617
SMILES[H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@@]4(C)[C@@]3([H])CC[C@]4([H])[C@H](C)C[C@H]3[C@@H](C)[C@@H]3C(C)C)[C@@]1(C)CC[C@H](O)C2
InChIInChI=1S/C29H50O/c1-17(2)27-19(4)23(27)15-18(3)24-9-10-25-22-8-7-20-16-21(30)11-13-28(20,5)26(22)12-14-29(24,25)6/h17-27,30H,7-16H2,1-6H3/t18-,19-,20+,21+,22+,23+,24-,25+,26+,27+,28+,29-/m1/s1
InChIKeyYQSCMUYRADBXNP-OZXSPJJYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS5335)
ChEBI Ontology
Outgoing Relation(s)
23,24-dihydro-5alpha-calystanol (CHEBI:193418) has parent hydride gorgostane (CHEBI:24424)
23,24-dihydro-5alpha-calystanol (CHEBI:193418) is a steroid (CHEBI:35341)
IUPAC Name 
(3S,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-1-[(1S,2R,3S)-2-methyl-3-propan-2-ylcyclopropyl]propan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
Manual XrefsDatabases
27025237ChemSpider
LMST01110011LIPID MAPS