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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

Default Structure
ChEBI IDCHEBI:117232
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
Stars
DownloadsMolfile
FormulaC30H50O3
Net Charge0
Average Mass458.727
Monoisotopic Mass458.37600
SMILESCC1(C)[C@@H](O)CC[C@]2(C)C3C(O)C=C4[C@H]5C[C@@](C)(CO)CC[C@]5(C)CC[C@]4(C)[C@]3(C)CC[C@@H]12
InChIInChI=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
InChIKeyLOBOMSGBFMNHBJ-RVPNDLLZSA-N
ChEBI Ontology
Outgoing Relation(s)
(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)
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