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CHEBI:166796 - Xeniasterol-a

ChEBI IDCHEBI:166796
ChEBI NameXeniasterol-a
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FormulaC30H52O5
Net Charge0
Average Mass492.741
Monoisotopic Mass492.38147
SMILES[H][C@@]12CC[C@]([H])([C@H](C)CC[C@H](C)C(C)C)[C@@]1(C)CC[C@]1([H])[C@@]3(C)CC[C@H](O)C[C@]3(O)[C@H](O)[C@H](OC(C)=O)[C@@]21[H]
InChIInChI=1S/C30H52O5/c1-17(2)18(3)8-9-19(4)22-10-11-23-25-24(13-14-28(22,23)6)29(7)15-12-21(32)16-30(29,34)27(33)26(25)35-20(5)31/h17-19,21-27,32-34H,8-16H2,1-7H3/t18-,19+,21-,22+,23-,24-,25-,26+,27+,28+,29+,30-/m0/s1
InChIKeyYNXOJQVJQLDURD-FCAZEUEMSA-N
ChEBI Ontology
Outgoing Relation(s)
Xeniasterol-a (CHEBI:166796) is a ergostanoid (CHEBI:50403)
IUPAC Name 
[(3S,5R,6R,7R,8S,9S,10R,13R,14S,17R)-17-[(2R,5S)-5,6-dimethylheptan-2-yl]-3,5,6-trihydroxy-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-7-yl] acetate
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