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(Q105187643)
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English
6,10-Diacetoxy-4,5-di(benzoyloxy)-9-hydroxy-3,4,5,5a,6,7,8,9-octahydro-2,2,5a,9-tetramethyl-2H-3,9a-methano-1-benzooxepin-7-one
group of stereoisomers with the chemical formula C₃₃H₃₆O₁₁
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Statements
instance of
group of stereoisomers
0 references
subclass of
eudesmane sesquiterpenoid
1 reference
inferred from
eudesmane sesquiterpenoid
mass
608.2257619719999
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₃₃H₃₆O₁₁
0 references
canonical SMILES
O=C(OC1C(OC(=O)C=2C=CC=CC2)C3(C)C(OC(=O)C)C(=O)CC(O)(C)C43OC(C)(C)C1C4OC(=O)C)C=5C=CC=CC5
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Identifiers
InChI
InChI=1S/C33H36O11/c1-18(34)40-25-22(36)17-31(5,39)33-26(41-19(2)35)23(30(3,4)44-33)24(42-28(37)20-13-9-7-10-14-20)27(32(25,33)6)43-29(38)21-15-11-8-12-16-21/h7-16,23-27,39H,17H2,1-6H3
0 references
InChIKey
NYRHSWLZSNQMFY-UHFFFAOYSA-N
0 references
PubChem CID
13874094
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
NYRHSWLZSNQMFY-UHFFFAOYSA-N
UniChem compound ID
83506893
1 reference
stated in
UniChem
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