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(Q105229914)
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English
8beta-(4'-Hydroxytigloyloxy)costunolide
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
(6,10-Dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl) 4-hydroxy-2-methylbut-2-enoate
1 reference
based on heuristic
inferred from SMILES
mass
346.178023932
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
[(3aR,4R,6E,10E,11aS)-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-4-hydroxy-2-methylbut-2-enoate
1 reference
based on heuristic
inferred from InChIKey
[(3aS,4R,6E,10E,11aR)-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-4-hydroxy-2-methylbut-2-enoate
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₀H₂₆O₅
0 references
canonical SMILES
O=C(OC1CC(=CCCC(=CC2OC(=O)C(=C)C21)C)C)C(=CCO)C
0 references
isomeric SMILES
C=C1C(=O)O[C@@H]2/C=C(\C)CC/C=C(\C)C[C@@H](OC(=O)/C(C)=C/CO)[C@@H]12
0 references
found in taxon
Campovassouria cruciata
1 reference
stated in
8β-Tigloylguaiagrazielolide from Campovassouria bupleurifolia
Disynaphia multicrenulata
1 reference
stated in
Heliangolides and germacrolides from Disynaphia multicrenulata
Eupatorium chinense
1 reference
stated in
Seven germacranolides, eupaglehnins A, B, C, D, E, and F, and 2alpha-acetoxyepitulipinolide from Eupatorium glehni
Eupatorium glehnii
1 reference
stated in
Seven germacranolides, eupaglehnins A, B, C, D, E, and F, and 2alpha-acetoxyepitulipinolide from Eupatorium glehni
Identifiers
InChI
InChI=1S/C20H26O5/c1-12-6-5-7-13(2)11-17-18(15(4)20(23)25-17)16(10-12)24-19(22)14(3)8-9-21/h6,8,11,16-18,21H,4-5,7,9-10H2,1-3H3/b12-6+,13-11+,14-8+/t16-,17-,18-/m1/s1
0 references
InChIKey
QXVGANVELOYXEZ-FSZPOTLFSA-N
0 references
PubChem CID
100967707
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
UniChem compound ID
97024431
1 reference
stated in
UniChem
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