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(Q105186083)
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English
[3-Hydroxy-6,8a-dimethyl-8-(2-methylbut-2-enoyloxy)-3-propan-2-yl-1,2,3a,4,5,8-hexahydroazulen-4-yl] 4-hydroxybenzoate
group of stereoisomers with the chemical formula C₂₇H₃₆O₆
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Statements
instance of
group of stereoisomers
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subclass of
daucane sesquiterpenoid
1 reference
inferred from
daucane sesquiterpenoid
mass
456.25118887199983
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₇H₃₆O₆
0 references
canonical SMILES
O=C(OC1CC(=CC(OC(=O)C(=CC)C)C2(C)CCC(O)(C(C)C)C12)C)C3=CC=C(O)C=C3
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Identifiers
InChI
InChI=1S/C27H36O6/c1-7-18(5)24(29)33-22-15-17(4)14-21(32-25(30)19-8-10-20(28)11-9-19)23-26(22,6)12-13-27(23,31)16(2)3/h7-11,15-16,21-23,28,31H,12-14H2,1-6H3
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InChIKey
NUXKLJINNAOFAH-UHFFFAOYSA-N
0 references
PubChem CID
72728871
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
NUXKLJINNAOFAH-UHFFFAOYSA-N
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