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(Q104916065)
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English
6-Methoxy-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid
group of stereoisomers with the chemical formula C₂₁H₃₂O₃
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Statements
instance of
group of stereoisomers
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subclass of
abietane diterpenoid
1 reference
inferred from
abietane diterpenoid
mass
332.4778
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₃₂O₃
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canonical SMILES
O=C(O)C1(C)CCCC2(C)C3C(C=C(C(OC)C3)C(C)C)=CCC12
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Identifiers
InChI
InChI=1S/C21H32O3/c1-13(2)15-11-14-7-8-18-20(3,16(14)12-17(15)24-5)9-6-10-21(18,4)19(22)23/h7,11,13,16-18H,6,8-10,12H2,1-5H3,(H,22,23)
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InChIKey
AOYBQYSCAFDMNF-UHFFFAOYSA-N
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PubChem CID
75311326
1 reference
based on heuristic
inferred from InChIKey
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