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(Q105283153)
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English
3-[1-(acetyloxy)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enoic acid
group of stereoisomers with the chemical formula C₁₇H₂₄O₄
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Statements
instance of
group of stereoisomers
0 references
subclass of
valerenane sesquiterpenoid
1 reference
inferred from
valerenane sesquiterpenoid
mass
292.3707
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₇H₂₄O₄
0 references
canonical SMILES
O=C(O)C(=CC1C2=C(C)CC(OC(=O)C)C2C(C)CC1)C
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Identifiers
InChI
InChI=1S/C17H24O4/c1-9-5-6-13(7-11(3)17(19)20)15-10(2)8-14(16(9)15)21-12(4)18/h7,9,13-14,16H,5-6,8H2,1-4H3,(H,19,20)
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InChIKey
VBBXZFLAYWAXSK-UHFFFAOYSA-N
0 references
CAS Registry Number
81397-67-3
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
133672
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
VBBXZFLAYWAXSK-UHFFFAOYSA-N
UniChem compound ID
76245697
1 reference
stated in
UniChem
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