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(Q104400482)
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English
Sargaol acetate
group of stereoisomers with the chemical formula C₂₉H₄₀O₃
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Statements
instance of
group of stereoisomers
0 references
subclass of
3-chromene
1 reference
inferred from
3-chromene
mass
436.29774513999996
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₉H₄₀O₃
0 references
canonical SMILES
O=C(OC1=CC=2C=CC(OC2C(=C1)C)(C)CCC=C(C)CCC=C(C)CCC=C(C)C)C
0 references
isomeric SMILES
CC(=O)Oc1cc(C)c2c(c1)C=CC(C)(CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)O2
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C29H40O3/c1-21(2)11-8-12-22(3)13-9-14-23(4)15-10-17-29(7)18-16-26-20-27(31-25(6)30)19-24(5)28(26)32-29/h11,13,15-16,18-20H,8-10,12,14,17H2,1-7H3/b22-13+,23-15+
0 references
InChIKey
UCHDEFJNGJCEHE-JWIKZEKMSA-N
0 references
PubChem CID
102172615
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
UCHDEFJNGJCEHE-JWIKZEKMSA-N
UniChem compound ID
101056102
1 reference
stated in
UniChem
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