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(Q105177334)
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English
[12-Acetyloxy-6-(acetyloxymethyl)-7-benzoyloxy-5-hydroxy-2,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-4-yl] benzoate
group of stereoisomers with the chemical formula C₃₃H₃₈O₁₀
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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
594.2464974159999
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₃₃H₃₈O₁₀
0 references
canonical SMILES
O=C(OC1CC(C)C23OC(C)(C)C(CC(OC(=O)C=4C=CC=CC4)C2(COC(=O)C)C1O)C3OC(=O)C)C=5C=CC=CC5
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Identifiers
InChI
InChI=1S/C33H38O10/c1-19-16-25(41-29(37)22-12-8-6-9-13-22)27(36)32(18-39-20(2)34)26(42-30(38)23-14-10-7-11-15-23)17-24-28(40-21(3)35)33(19,32)43-31(24,4)5/h6-15,19,24-28,36H,16-18H2,1-5H3
0 references
InChIKey
NCRKYBJLAZLWCK-UHFFFAOYSA-N
0 references
PubChem CID
85384562
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
NCRKYBJLAZLWCK-UHFFFAOYSA-N
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