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(Q104976169)
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English
Daniellic acid methyl
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
methyl 5-[2-(furan-3-yl)ethyl]-1,4a-dimethyl-6-methylidene-hexahydro-2H-naphthalene-1-carboxylate
1 reference
based on heuristic
inferred from SMILES
mass
330.21949482
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
methyl (1S,4aS,5R,8aS)-5-[2-(furan-3-yl)ethyl]-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
(9alpha,10alpha)-15,16-Epoxylabda-8(20),13(16),14-trien-18-oic acid methyl ester
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
Methyl (1R,4aR,5S,8aR)-5-[2-(furan-3-yl)ethyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylate
1 reference
based on heuristic
inferred from InChI
Methyl lambertianate
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₁H₃₀O₃
0 references
canonical SMILES
O=C(OC)C1(C)CCCC2(C)C(C(=C)CCC12)CCC3=COC=C3
0 references
isomeric SMILES
C=C1CC[C@H]2[C@@](C)(CCC[C@@]2(C)C(=O)OC)[C@@H]1CCc1ccoc1
0 references
found in taxon
Ruppia maritima
1 reference
stated in
Antialgal ent-labdane diterpenes from Ruppia maritima
Identifiers
InChI
InChI=1S/C21H30O3/c1-15-6-9-18-20(2,11-5-12-21(18,3)19(22)23-4)17(15)8-7-16-10-13-24-14-16/h10,13-14,17-18H,1,5-9,11-12H2,2-4H3/t17-,18+,20+,21-/m1/s1
0 references
InChIKey
DCZZBGIVZGGJDO-YXYSEUPNSA-N
0 references
PubChem CID
14109705
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
DCZZBGIVZGGJDO-YXYSEUPNSA-N
UniChem compound ID
97544024
1 reference
stated in
UniChem
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