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CHEBI:226112 - Guanacastepene C

ChEBI IDCHEBI:226112
ChEBI NameGuanacastepene C
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FormulaC20H30O4
Net Charge0
Average Mass334.456
Monoisotopic Mass334.21441
SMILESCC(C)[C@H]1[C@H](O)C(=O)C2=CC3=C(CO)[C@@H](O)CC[C@@]3(C)CC[C@@]21C
InChIInChI=1S/C20H30O4/c1-11(2)16-18(24)17(23)14-9-13-12(10-21)15(22)5-6-19(13,3)7-8-20(14,16)4/h9,11,15-16,18,21-22,24H,5-8,10H2,1-4H3/t15-,16-,18-,19-,20-/m0/s1
InChIKeyRVRMCOSMMOFDAU-LPBINRMYSA-N
ChEBI Ontology
Outgoing Relation(s)
Guanacastepene C (CHEBI:226112) is a organic hydroxy compound (CHEBI:33822)
IUPAC Name 
(2S,3R,3aR,5aR,8S)-2,8-dihydroxy-9-(hydroxymethyl)-3a,5a-dimethyl-3-propan-2-yl-3,4,5,6,7,8-hexahydro-2H-benzo[g]azulen-1-one
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