CHEBI:117232 - (3S,4aR,6aR,6bR,8aS,11S,12aS,14bS)-11-(hydroxymethyl)-4,4,6a,6b,8a,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,14-diol

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ChEBI Name (3S,4aR,6aR,6bR,8aS,11S,12aS,14bS)-11-(hydroxymethyl)-4,4,6a,6b,8a,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,14-diol
ChEBI ID CHEBI:117232
Stars This entity has been manually annotated by a third party.
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Formula C30H50O3
Net Charge 0
Average Mass 458.717
Monoisotopic Mass 458.37600
InChI InChI=1S/C30H50O3/c1-25(2)22-8-11-30(7)24(28(22,5)10-9-23(25)33)21(32)16-19-20-17-26(3,18-31)12-13-27(20,4)14-15-29(19,30)6/h16,20-24,31-33H,8-15,17-18H2,1-7H3/t20-,21?,22+,23+,24?,26+,27-,28+,29+,30-/m1/s1
InChIKey LOBOMSGBFMNHBJ-RVPNDLLZSA-N
SMILES C[C@]12CC[C@](C[C@@H]1C3=CC(C4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@]3(CC2)C)C)(C)C)O)C)O)(C)CO
ChEBI Ontology
Outgoing (3S,4aR,6aR,6bR,8aS,11S,12aS,14bS)-11-(hydroxymethyl)-4,4,6a,6b,8a,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,14-diol (CHEBI:117232) is a triterpenoid (CHEBI:36615)
Manual Xref Database
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