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(Q104995419)
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English
(9R,10alpha)-16-Oxo-15,16-epoxylabda-8(20),13-dien-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-[2-(5-oxo-2H-furan-4-yl)ethyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
1 reference
based on heuristic
inferred from SMILES
mass
332.198759376
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(1S,4aR,5S,8aR)-1,4a-dimethyl-6-methylidene-5-[2-(2-oxo-5H-furan-3-yl)ethyl]-hexahydro-2H-naphthalene-1-carboxylic acid
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(4S,5beta,9alpha,10alpha)-15,16-Epoxy-16-oxolabda-8(20),13-dien-19-oic acid
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(1R,4aS,5R,8aS)-1,4a-dimethyl-6-methylidene-5-[2-(5-oxo-2H-furan-4-yl)ethyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
1 reference
based on heuristic
inferred from InChI
Nivenolide
1 reference
based on heuristic
inferred from InChI
(1S,4aR,5S,8aS)-1,4a-dimethyl-6-methylidene-5-[2-(5-oxo-2H-furan-4-yl)ethyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₀H₂₈O₄
0 references
canonical SMILES
O=C1OCC=C1CCC2C(=C)CCC3C(C(=O)O)(C)CCCC23C
0 references
isomeric SMILES
C=C1CC[C@H]2[C@@](C)(C(=O)O)CCC[C@@]2(C)[C@@H]1CCC1=CCOC1=O
0 references
found in taxon
Acanthostyles buniifolius
1 reference
stated in
Ent-labdanes in eupatorium buniifolium
Identifiers
InChI
InChI=1S/C20H28O4/c1-13-5-8-16-19(2,10-4-11-20(16,3)18(22)23)15(13)7-6-14-9-12-24-17(14)21/h9,15-16H,1,4-8,10-12H2,2-3H3,(H,22,23)/t15-,16-,19+,20+/m1/s1
0 references
InChIKey
FHQSDRHZGCMBKG-YKCBXCCJSA-N
0 references
PubChem CID
14806213
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
FHQSDRHZGCMBKG-YKCBXCCJSA-N
UniChem compound ID
97361579
1 reference
stated in
UniChem
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