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CHEBI:166816 - Isofucostanol

ChEBI IDCHEBI:166816
ChEBI NameIsofucostanol
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SubmitterMetaboLights
DownloadsMolfile
FormulaC29H50O
Net Charge0
Average Mass414.718
Monoisotopic Mass414.38617
SMILES[H][C@@]12CCC3CC(O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@H](C(C)CC/C(=C/C)C(C)C)CC[C@@]21[H]
InChIInChI=1S/C29H50O/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/h7,19-20,22-27,30H,8-18H2,1-6H3/b21-7-/t20?,22?,23?,24-,25+,26-,27-,28-,29+/m0/s1
InChIKeyCQSRUKJFZKVYCY-WZJYZIMXSA-N
ChEBI Ontology
Outgoing Relation(s)
Isofucostanol (CHEBI:166816) has parent hydride stigmastane (CHEBI:26773)
Isofucostanol (CHEBI:166816) is a C29-steroid (CHEBI:188923)
Isofucostanol (CHEBI:166816) is a steroid (CHEBI:35341)
IUPAC Name 
(8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(Z)-5-propan-2-ylhept-5-en-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
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