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(Q105116994)
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English
(8-chloro-6a,9-dihydroxy-9-methyl-3,6-dimethylidene-2-oxo-4,5,7,8,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl) acetate
group of stereoisomers with the chemical formula C₁₇H₂₁ClO₆
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Statements
instance of
group of stereoisomers
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subclass of
guaiane sesquiterpenoid
1 reference
inferred from
guaiane sesquiterpenoid
mass
356.1026660719999
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₇H₂₁ClO₆
0 references
canonical SMILES
O=C1OC2C(C1=C)C(OC(=O)C)CC(=C)C3(O)CC(Cl)C(O)(C)C23
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Identifiers
InChI
InChI=1S/C17H21ClO6/c1-7-5-10(23-9(3)19)12-8(2)15(20)24-13(12)14-16(4,21)11(18)6-17(7,14)22/h10-14,21-22H,1-2,5-6H2,3-4H3
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InChIKey
IOZBITZAYUVOTR-UHFFFAOYSA-N
0 references
PubChem CID
85417361
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
IOZBITZAYUVOTR-UHFFFAOYSA-N
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