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(Q104944107)
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4-Epipulchellin
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
Azuleno(6,5-b)furan-2(3H)-one, decahydro-5,7-dihydroxy-4a,8-dimethyl-3-methylene-, (3aR,4aS,5R,7S,7aS,8R,9aS)-
1 reference
based on heuristic
inferred from SMILES
(3aR,8aS,9aR)-6,8-dihydroxy-5,8a-dimethyl-1-methylidene-4,5,5a,6,7,8,9,9a-octahydro-3aH-azuleno[6,5-b]furan-2-one
1 reference
based on heuristic
inferred from SMILES
mass
266.151809184
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(3aR,5S,5aR,6S,8R,8aS,9aS)-6,8-dihydroxy-5,8a-dimethyl-1-methylidene-4,5,5a,6,7,8,9,9a-octahydro-3aH-azuleno[6,5-b]furan-2-one
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(3aalpha,7aalpha,9abeta)-3-Methylene-4abeta,8beta-dimethyl-5beta,7alpha-dihydroxydodecahydroazuleno[6,5-b]furan-2-one
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
Neopulchellin
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(3aR,5R,5aS,6S,8S,8aS,9aR)-6,8-dihydroxy-5,8a-dimethyl-1-methylidene-4,5,5a,6,7,8,9,9a-octahydro-3aH-azuleno[6,5-b]furan-2-one
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(3aS,5R,5aS,6S,8S,8aS,9aR)-6,8-dihydroxy-5,8a-dimethyl-1-methylidene-4,5,5a,6,7,8,9,9a-octahydro-3aH-azuleno[6,5-b]furan-2-one
1 reference
based on heuristic
inferred from InChI
Pulchellin
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₅H₂₂O₄
0 references
canonical SMILES
O=C1OC2CC(C)C3C(O)CC(O)C3(C)CC2C1=C
0 references
isomeric SMILES
C=C1C(=O)O[C@H]2C[C@@H](C)[C@@H]3[C@H](O)C[C@@H](O)[C@@]3(C)C[C@H]12
0 references
found in taxon
Gaillardia pulchella
2 references
stated in
Isolation and Structure of New Pseudoguaianolides, 4-Epipulchellin and 4-Epineopulchellin from Gaillardia Pulchella
stated in
Structure-Activity Relationships of Pseudoguaianolides Isolated from Gaillardia pulchella and Their Derivatives
Identifiers
InChI
InChI=1S/C15H22O4/c1-7-4-11-9(8(2)14(18)19-11)6-15(3)12(17)5-10(16)13(7)15/h7,9-13,16-17H,2,4-6H2,1,3H3/t7-,9-,10-,11+,12-,13-,15-/m1/s1
0 references
InChIKey
BPUNWVGCTMEMKQ-WMQHAQJESA-N
0 references
PubChem CID
122401487
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
BPUNWVGCTMEMKQ-WMQHAQJESA-N
UniChem compound ID
147874283
1 reference
stated in
UniChem
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