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CHEBI:197720 - Leiwansterol A

ChEBI IDCHEBI:197720
ChEBI NameLeiwansterol A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H48O4
Net Charge0
Average Mass460.699
Monoisotopic Mass460.35526
SMILESCC[C@@H](CC[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/C29H48O4/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/h17-22,24,30,32-33H,7-16H2,1-6H3/t18-,19-,20-,21+,22-,24+,27-,28+,29-/m0/s1
InChIKeyLRZBZOYEXVMHPC-NJWGTVOUSA-N
ChEBI Ontology
Outgoing Relation(s)
Leiwansterol A (CHEBI:197720) has parent hydride stigmastane (CHEBI:26773)
Leiwansterol A (CHEBI:197720) is a steroid (CHEBI:35341)
IUPAC Name 
(3R,5S,9R,10R,13S,15R,17S)-17-[(2S,5S)-5-ethyl-6-methylheptan-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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