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English
Arnicolide B
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
3,4a,8-trimethyl-2,5-dioxo-3H,3aH,4H,7aH,8H,9H,9aH-azuleno[6,5-b]furan-4-yl 3-methylbutanoate
1 reference
based on heuristic
inferred from SMILES
mass
348.193673996
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
[(1S,3aR,5R,5aR,8aR,9R,9aR)-1,5,8a-trimethyl-2,8-dioxo-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,5-b]furan-9-yl] 3-methylbutanoate
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₀H₂₈O₅
0 references
canonical SMILES
O=C(OC1C2C(OC(=O)C2C)CC(C)C3C=CC(=O)C13C)CC(C)C
0 references
isomeric SMILES
CC(C)CC(=O)O[C@H]1[C@@H]2[C@H](C)C(=O)O[C@@H]2C[C@@H](C)[C@@H]2C=CC(=O)[C@@]12C
0 references
found in taxon
Arnica montana
2 references
stated in
On terpenes. CCIX. Arnicolides - sesquiterpenic lactones from the leaves of Arnica montana L.
stated in
On terpenes. CCIX. Arnicolides - sesquiterpenic lactones from the leaves of Arnica montana L.
Centipeda minima
1 reference
stated in
Platelet activating factor (PAF) antagonists contained in medicinal plants: lignans and sesquiterpenes
Identifiers
InChI
InChI=1S/C20H28O5/c1-10(2)8-16(22)25-18-17-12(4)19(23)24-14(17)9-11(3)13-6-7-15(21)20(13,18)5/h6-7,10-14,17-18H,8-9H2,1-5H3/t11-,12+,13+,14-,17-,18+,20+/m1/s1
0 references
InChIKey
XOSUIROVCFABAY-QUQQNCTQSA-N
0 references
PubChem CID
14656908
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
UniChem compound ID
114159
1 reference
stated in
UniChem
UNII
PTH3RMN3NS
1 reference
matched by identifier from
InChIKey
InChIKey
XOSUIROVCFABAY-QUQQNCTQSA-N
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