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CHEBI:206387 - Leiwansterol B

ChEBI IDCHEBI:206387
ChEBI NameLeiwansterol B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H46O4
Net Charge0
Average Mass458.683
Monoisotopic Mass458.33961
SMILESCC[C@H](/C=C/[C@@H](C)[C@H]1C[C@H](O)C2=C3C(=O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@@]3(O)CC[C@@]21C)C(C)C
InChIInChI=1S/C29H46O4/c1-7-19(17(2)3)9-8-18(4)22-16-24(32)25-26-23(31)15-20-14-21(30)10-11-28(20,6)29(26,33)13-12-27(22,25)5/h8-9,17-22,24,30,32-33H,7,10-16H2,1-6H3/b9-8+/t18-,19-,20-,21+,22-,24+,27-,28+,29-/m1/s1
InChIKeyBIDNVTVZCOKKAF-FAGXQHCLSA-N
ChEBI Ontology
Outgoing Relation(s)
Leiwansterol B (CHEBI:206387) has parent hydride stigmastane (CHEBI:26773)
Leiwansterol B (CHEBI:206387) is a steroid (CHEBI:35341)
IUPAC Name 
(3S,5R,9S,10S,13R,15S,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-3,9,15-trihydroxy-10,13-dimethyl-2,3,4,5,6,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-7-one
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