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(Q105031233)
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English
[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
camphan monoterpenoid
0 references
mass
374.20932406
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 3-(3,4,5-trimethoxyphenyl)prop-2-enoate
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₂₂H₃₀O₅
0 references
canonical SMILES
O=C(OC1CC2CCC1(C)C2(C)C)C=CC3=CC(OC)=C(OC)C(OC)=C3
0 references
isomeric SMILES
COc1cc(/C=C/C(=O)O[C@@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)cc(OC)c1OC
0 references
found in taxon
Elsholtzia rugulosa
1 reference
stated in
Chemical constituents of the whole plant of Elsholtzia rugulosa
Identifiers
InChI
InChI=1S/C22H30O5/c1-21(2)15-9-10-22(21,3)18(13-15)27-19(23)8-7-14-11-16(24-4)20(26-6)17(12-14)25-5/h7-8,11-12,15,18H,9-10,13H2,1-6H3/b8-7+/t15-,18+,22+/m0/s1
0 references
InChIKey
HOEXVZGRLZDKIW-PTJRHCKPSA-N
0 references
PubChem CID
11014226
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
HOEXVZGRLZDKIW-PTJRHCKPSA-N
UniChem compound ID
34163102
1 reference
stated in
UniChem
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