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(Q105164245)
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4-epi-Sandaracopimaric acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
(1R,4aR,4bS,7R)-7-ethenyl-1,4a,7-trimethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid
1 reference
based on heuristic
inferred from SMILES
pimaric acid
1 reference
based on heuristic
inferred from SMILES
mass
302.2245802
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(1S,4aS,4bR,7S,10aR)-7-ethenyl-1,4a,7-trimethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
sandaracopimaric acid
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(1R,4aR,4bS,7R,10aS)-7-ethenyl-1,4a,7-trimethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid
1 reference
based on heuristic
inferred from InChI
pimaric acid
1 reference
based on heuristic
inferred from InChI
Continentalic acid
1 reference
based on heuristic
inferred from InChI
(1S,4aS,4bR,7R,10aS)-7-ethenyl-1,4a,7-trimethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₀H₃₀O₂
0 references
canonical SMILES
O=C(O)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)O)CCC[C@]3(C)[C@H]2CC1
0 references
found in taxon
Illicium angustisepalum
2 references
stated in
Abietane diterpenes from Illicium angustisepalum
stated in
Abietane diterpenes from Illicium angustisepalum
Cedrus atlantica
1 reference
stated in
Diterpenoids of cones from two Cedrus species
Identifiers
InChI
InChI=1S/C20H30O2/c1-5-18(2)12-9-15-14(13-18)7-8-16-19(15,3)10-6-11-20(16,4)17(21)22/h5,13,15-16H,1,6-12H2,2-4H3,(H,21,22)/t15-,16+,18-,19+,20-/m0/s1
0 references
InChIKey
MHVJRKBZMUDEEV-ZRSLWSEBSA-N
0 references
PubChem CID
12309236
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
MHVJRKBZMUDEEV-ZRSLWSEBSA-N
UniChem compound ID
67614730
1 reference
stated in
UniChem
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