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(Q105126054)
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Isoozic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
ent-8(17),13(16),14-Labdatrien-18-oic acid
1 reference
based on heuristic
inferred from SMILES
mass
302.2245802
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
Isocommunic acid
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(1R,4aR,5R,8aS)-1,4a-dimethyl-6-methylidene-5-(3-methylidenepent-4-enyl)-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
4-Epiisocommunic acid
1 reference
based on heuristic
inferred from InChI
(1S,4aR,5S,8aS)-1,4a-dimethyl-6-methylidene-5-(3-methylidenepent-4-enyl)-3,4,5,7,8,8a-hexahydro-2H-naphthalene-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)C(C(=C)CCC12)CCC(=C)C=C
0 references
isomeric SMILES
C=CC(=C)CC[C@@H]1C(=C)CC[C@@H]2[C@@](C)(C(=O)O)CCC[C@]21C
0 references
found in taxon
Hymenaea courbaril
2 references
stated in
Clerodane-type diterpenes from the seed pods of Hymenaea courbaril var. stilbocarpa
stated in
Clerodane-type diterpenes from the seed pods of Hymenaea courbaril var. stilbocarpa
Xylopia aromatica
1 reference
stated in
Labdane dimers from Xylopia aromatica1Based on part of the Ph.D. thesis presented by DM to Universidade de São Paulo.1
Identifiers
InChI
InChI=1S/C20H30O2/c1-6-14(2)8-10-16-15(3)9-11-17-19(16,4)12-7-13-20(17,5)18(21)22/h6,16-17H,1-3,7-13H2,4-5H3,(H,21,22)/t16-,17+,19+,20+/m1/s1
0 references
InChIKey
JEGUVXRNDRXUDN-UMGGQSCQSA-N
0 references
PubChem CID
100983062
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
JEGUVXRNDRXUDN-UMGGQSCQSA-N
UniChem compound ID
96545178
1 reference
stated in
UniChem
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