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CHEBI:201666 - Cyafrin A4

ChEBI IDCHEBI:201666
ChEBI NameCyafrin A4
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FormulaC20H30O4
Net Charge0
Average Mass334.456
Monoisotopic Mass334.21441
SMILESCC(C)C1=C2[C@H]3C[C@@H](O)C(CO)=CC(=O)[C@]3(C)CC[C@@]2(C)[C@H](O)C1
InChIInChI=1S/C20H30O4/c1-11(2)13-8-17(24)20(4)6-5-19(3)14(18(13)20)9-15(22)12(10-21)7-16(19)23/h7,11,14-15,17,21-22,24H,5-6,8-10H2,1-4H3/t14-,15-,17-,19-,20+/m1/s1
InChIKeyYEHJDRIYGMBBHB-LDAIKLSLSA-N
ChEBI Ontology
Outgoing Relation(s)
Cyafrin A4 (CHEBI:201666) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(3R,3aR,5aR,9R,10aR)-3,9-dihydroxy-8-(hydroxymethyl)-3a,5a-dimethyl-1-propan-2-yl-3,4,5,9,10,10a-hexahydro-2H-cyclohepta[e]inden-6-one
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