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(Q105167703)
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English
(13S)-Labd-8(20)-ene-15,19-dioic acid dimethyl ester
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
Labd-8(20)-ene-15,18-dioic acid, dimethyl ester, (13R)-
1 reference
based on heuristic
inferred from SMILES
mass
364.261359632
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
methyl (1R,4aR,5S,8aR)-5-[(3R)-5-methoxy-3-methyl-5-oxopentyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylate
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
methyl (1S,4aS,5R,8aR)-5-[(3R)-5-methoxy-3-methyl-5-oxopentyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylate
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
methyl (1S,4aS,5R,8aS)-5-[(3S)-5-methoxy-3-methyl-5-oxopentyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylate
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₂H₃₆O₄
0 references
canonical SMILES
O=C(OC)CC(C)CCC1C(=C)CCC2C(C(=O)OC)(C)CCCC12C
0 references
isomeric SMILES
C=C1CC[C@H]2[C@@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CC[C@H](C)CC(=O)OC
0 references
found in taxon
Cryptomeria japonica
1 reference
stated in
Labdanes from Cryptomeria japonica
Identifiers
InChI
InChI=1S/C22H36O4/c1-15(14-19(23)25-5)8-10-17-16(2)9-11-18-21(17,3)12-7-13-22(18,4)20(24)26-6/h15,17-18H,2,7-14H2,1,3-6H3/t15-,17-,18+,21+,22-/m0/s1
0 references
InChIKey
MMEXTNDBWOEMTB-ZGMMZYFLSA-N
0 references
PubChem CID
101987388
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
UniChem compound ID
97604957
1 reference
stated in
UniChem
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