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Methyl isodextropimarate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
1-Phenanthrenecarboxylic acid, 7-ethenyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,4a,7-trimethyl-, methyl ester
1 reference
based on heuristic
inferred from SMILES
mass
316.240230264
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
methyl (1S,4aS,4bR,7S,10aR)-7-ethenyl-1,4a,7-trimethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylate
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
methyl pimarate
1 reference
based on heuristic
inferred from InChI
methyl (1R,4aS,4bR,7R,10aS)-7-ethenyl-1,4a,7-trimethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylate
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₁H₃₂O₂
0 references
canonical SMILES
O=C(OC)C1(C)CCCC2(C)C3C(=CC(C=C)(C)CC3)CCC12
0 references
isomeric SMILES
C=C[C@]1(C)C=C2CC[C@H]3[C@](C)(C(=O)OC)CCC[C@]3(C)[C@H]2CC1
0 references
found in taxon
Juniperus communis
1 reference
stated in
Diterpene acids from Juniperus communis subsp. Hemisphaerica
Juniperus communis var. communis
1 reference
stated in
Diterpene acids from Juniperus communis subsp. Hemisphaerica
Identifiers
InChI
InChI=1S/C21H32O2/c1-6-19(2)13-10-16-15(14-19)8-9-17-20(16,3)11-7-12-21(17,4)18(22)23-5/h6,14,16-17H,1,7-13H2,2-5H3/t16-,17+,19-,20+,21+/m0/s1
0 references
InChIKey
BGCXKCIPDDNDEV-GBMAXXPESA-N
0 references
PubChem CID
13710744
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
BGCXKCIPDDNDEV-GBMAXXPESA-N
UniChem compound ID
67131155
1 reference
stated in
UniChem
KNApSAcK ID
C00053765
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
BGCXKCIPDDNDEV-GBMAXXPESA-N
UNII
63SNE896QF
1 reference
matched by identifier from
InChIKey
InChIKey
BGCXKCIPDDNDEV-GBMAXXPESA-N
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