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(Q105146697)
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English
5-(acetyloxy)-7,8-bis(benzoyloxy)-2,12-dihydroxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-4-yl benzoate
group of stereoisomers with the chemical formula C₃₈H₄₀O₁₁
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Statements
instance of
group of stereoisomers
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subclass of
eudesmane sesquiterpenoid
1 reference
inferred from
eudesmane sesquiterpenoid
mass
672.2570621000001
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₃₈H₄₀O₁₁
0 references
canonical SMILES
O=C(OC1CC(O)(C)C23OC(C)(C)C(C2O)C(OC(=O)C=4C=CC=CC4)C(OC(=O)C=5C=CC=CC5)C3(C)C1OC(=O)C)C=6C=CC=CC6
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Identifiers
InChI
InChI=1S/C38H40O11/c1-22(39)45-30-26(46-32(41)23-15-9-6-10-16-23)21-36(4,44)38-29(40)27(35(2,3)49-38)28(47-33(42)24-17-11-7-12-18-24)31(37(30,38)5)48-34(43)25-19-13-8-14-20-25/h6-20,26-31,40,44H,21H2,1-5H3
0 references
InChIKey
KVSHMAMFEWWXDJ-UHFFFAOYSA-N
0 references
PubChem CID
14828858
1 reference
matched by identifier from
InChIKey
InChIKey
KVSHMAMFEWWXDJ-UHFFFAOYSA-N
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