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(Q104936812)
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English
(9-Acetyloxy-3,7-dimethyl-10-propan-2-ylcyclodeca-3,7-dien-1-yl) 3-(4-acetyloxy-3-methoxyphenyl)prop-2-enoate
group of stereoisomers with the chemical formula C₂₉H₃₈O₇
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Statements
instance of
group of stereoisomers
0 references
subclass of
germacrane sesquiterpenoid
1 reference
inferred from
germacrane sesquiterpenoid
alkyl caffeate ester
1 reference
inferred from
alkyl caffeate ester
mass
498.261753556
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₉H₃₈O₇
0 references
canonical SMILES
O=C(OC1CC(=CCCC(=CC(OC(=O)C)C1C(C)C)C)C)C=CC2=CC=C(OC(=O)C)C(OC)=C2
0 references
found in taxon
Thapsia villosa
1 reference
stated in
Phenylpropanoids and other derivatives from Thapsia villosa
Identifiers
InChI
InChI=1S/C29H38O7/c1-18(2)29-26(35-22(6)31)15-19(3)9-8-10-20(4)16-27(29)36-28(32)14-12-23-11-13-24(34-21(5)30)25(17-23)33-7/h10-15,17-18,26-27,29H,8-9,16H2,1-7H3
0 references
InChIKey
BIUXJUXZBRPAHS-UHFFFAOYSA-N
0 references
PubChem CID
162896605
2 references
stated in
PubChem
retrieved
2 January 2023
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
BIUXJUXZBRPAHS-UHFFFAOYSA-N
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