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CHEBI:205649 - Guanacastepene B

ChEBI IDCHEBI:205649
ChEBI NameGuanacastepene B
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FormulaC20H32O3
Net Charge0
Average Mass320.473
Monoisotopic Mass320.23514
SMILESCC(C)[C@H]1CC(=O)C2=C[C@H]3[C@](C)(CC[C@@]21C)C[C@H](O)C[C@]3(C)O
InChIInChI=1S/C20H32O3/c1-12(2)14-8-16(22)15-9-17-18(3,6-7-19(14,15)4)10-13(21)11-20(17,5)23/h9,12-14,17,21,23H,6-8,10-11H2,1-5H3/t13-,14+,17-,18+,19+,20-/m0/s1
InChIKeyXSOSIACAJIVFGA-ZLARMEDBSA-N
ChEBI Ontology
Outgoing Relation(s)
Guanacastepene B (CHEBI:205649) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
(3R,3aR,5aR,7S,9S,9aS)-7,9-dihydroxy-3a,5a,9-trimethyl-3-propan-2-yl-2,3,4,5,6,7,8,9a-octahydrobenzo[g]azulen-1-one
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