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(Q105170771)
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English
3,8,16-Trimethyl-7,18-dioxatricyclo[13.3.0.06,8]octadeca-2,11,15-triene-12-carboxylic acid
group of stereoisomers with the chemical formula C₂₀H₂₈O₄
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Statements
instance of
group of stereoisomers
0 references
subclass of
cembrane
1 reference
inferred from
cembrane
mass
332.198759376
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₂₈O₄
0 references
canonical SMILES
O=C(O)C1=CCCC2(OC2CCC(=CC3OCC(=C3CC1)C)C)C
0 references
Identifiers
InChI
InChI=1S/C20H28O4/c1-13-6-9-18-20(3,24-18)10-4-5-15(19(21)22)7-8-16-14(2)12-23-17(16)11-13/h5,11,17-18H,4,6-10,12H2,1-3H3,(H,21,22)
0 references
InChIKey
MRNXBWBKOQQJNE-UHFFFAOYSA-N
0 references
PubChem CID
75166301
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
MRNXBWBKOQQJNE-UHFFFAOYSA-N
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