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(Q105149363)
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English
[3-Hydroxy-6,8a-dimethyl-1-(2-methylbut-2-enoyloxy)-3-propan-2-yl-1,2,3a,4,5,8-hexahydroazulen-4-yl] 2-methylbut-2-enoate
group of stereoisomers with the chemical formula C₂₅H₃₈O₅
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Statements
instance of
group of stereoisomers
0 references
subclass of
daucane sesquiterpenoid
1 reference
inferred from
daucane sesquiterpenoid
mass
418.27192431599985
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₅H₃₈O₅
0 references
canonical SMILES
O=C(OC1CC(=CCC2(C)C(OC(=O)C(=CC)C)CC(O)(C(C)C)C12)C)C(=CC)C
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Identifiers
InChI
InChI=1S/C25H38O5/c1-9-17(6)22(26)29-19-13-16(5)11-12-24(8)20(30-23(27)18(7)10-2)14-25(28,15(3)4)21(19)24/h9-11,15,19-21,28H,12-14H2,1-8H3
0 references
InChIKey
LBJPCDBPHHIOKJ-UHFFFAOYSA-N
0 references
PubChem CID
163026243
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
LBJPCDBPHHIOKJ-UHFFFAOYSA-N
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