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(Q105143538)
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English
(15E)-15-(2-Oxopropylidene)labd-8(20)-en-19-oic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
1,4a-dimethyl-6-methylidene-5-(3-methyl-7-oxooct-5-enyl)-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
1 reference
based on heuristic
inferred from SMILES
mass
360.266445012
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₃H₃₆O₃
0 references
canonical SMILES
O=C(C=CCC(C)CCC1C(=C)CCC2C(C(=O)O)(C)CCCC12C)C
0 references
isomeric SMILES
C=C1CC[C@H]2[C@@](C)(C(=O)O)CCC[C@]2(C)[C@H]1CC[C@H](C)C/C=C/C(C)=O
0 references
found in taxon
Cryptomeria japonica
1 reference
stated in
Labdanes from Cryptomeria japonica
Identifiers
InChI
InChI=1S/C23H36O3/c1-16(8-6-9-18(3)24)10-12-19-17(2)11-13-20-22(19,4)14-7-15-23(20,5)21(25)26/h6,9,16,19-20H,2,7-8,10-15H2,1,3-5H3,(H,25,26)/b9-6+/t16-,19+,20-,22-,23+/m1/s1
0 references
InChIKey
KNRXBOCDMJMJJX-NLNPXBQKSA-N
0 references
PubChem CID
101675260
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
UniChem compound ID
97780117
1 reference
stated in
UniChem
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