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(Q82913727)
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English
Methyl pimara-7,15-dien-18-oate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
methyl 7-ethenyl-1,4a,7-trimethyl-3,4,4b,5,6,8,10,10a-octahydro-2H-phenanthrene-1-carboxylate
1 reference
based on heuristic
inferred from SMILES
mass
316.240230264
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
methyl (1S,4aR,4bS,7S,10aR)-7-ethenyl-1,4a,7-trimethyl-3,4,4b,5,6,8,10,10a-octahydro-2H-phenanthrene-1-carboxylate
1 reference
based on heuristic
inferred from InChI
methyl (1R,4aS,4bR,7S,10aS)-7-ethenyl-1,4a,7-trimethyl-3,4,4b,5,6,8,10,10a-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(=CCC12)CC(C=C)(C)CC3
0 references
isomeric SMILES
C[C@@]1(CC[C@H]2C(=CC[C@@H]3[C@@]2(CCC[C@@]3(C)C(=O)OC)C)C1)C=C
0 references
found in taxon
Artemisia tridentata
1 reference
stated in
Terpenes in the essential oil of sagebrush (Artemisia tridentata)
Pinus koraiensis
1 reference
stated in
Tricyclic neutral diterpenoids from the oleoresin of Pinus koraiensis
Cleonia lusitanica
1 reference
stated in
Cleonioic acid, a new diterpenoid from Cleonia lusitanica
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
Pinus sylvestris var. hamata
1 reference
stated in
Terpenoids of the oleoresin ofPinus kochiana
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/h6,8,16-17H,1,7,9-14H2,2-5H3/t16-,17+,19-,20+,21+/m0/s1
0 references
InChIKey
QMZKBAQNFAMESG-GBMAXXPESA-N
0 references
CAS Registry Number
1686-62-0
0 references
PubChem CID
3032412
1 reference
matched by identifier from
InChIKey
InChIKey
QMZKBAQNFAMESG-GBMAXXPESA-N
UniChem compound ID
48328240
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID80937507
1 reference
matched by identifier from
InChIKey
InChIKey
QMZKBAQNFAMESG-GBMAXXPESA-N
DSSTOX compound identifier
DTXCID801366069
0 references
KNApSAcK ID
C00053374
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
QMZKBAQNFAMESG-GBMAXXPESA-N
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