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(Q105031507)
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English
11beta,13-Dihydrourospermal A
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
4-hydroxy-10-(hydroxymethyl)-3-methyl-2-oxo-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-6-carbaldehyde
1 reference
based on heuristic
inferred from SMILES
(3S,4S)-4-hydroxy-10-(hydroxymethyl)-3-methyl-2-oxo-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-6-carbaldehyde
1 reference
based on heuristic
inferred from SMILES
mass
280.13107374
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
11alpha,13-Dihydrourospermal A
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(3S,3aR,4S,6E,10Z,11aR)-4-hydroxy-10-(hydroxymethyl)-3-methyl-2-oxo-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-6-carbaldehyde
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₅H₂₀O₅
0 references
canonical SMILES
O=CC1=CCCC(=CC2OC(=O)C(C)C2C(O)C1)CO
0 references
isomeric SMILES
C[C@@H]1C(=O)O[C@@H]2/C=C(/CO)CC/C=C(/C=O)C[C@H](O)[C@@H]12
0 references
found in taxon
Sonchus asper
1 reference
stated in
Sesquiterpene lactone glucosides from Sonchus asper
Identifiers
InChI
InChI=1S/C15H20O5/c1-9-14-12(18)5-10(7-16)3-2-4-11(8-17)6-13(14)20-15(9)19/h3,6-7,9,12-14,17-18H,2,4-5,8H2,1H3/b10-3+,11-6+/t9-,12-,13+,14+/m0/s1
0 references
InChIKey
HOSMFPQDFZLVEZ-ODVDRCMSSA-N
0 references
PubChem CID
101665849
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
UniChem compound ID
97118988
1 reference
stated in
UniChem
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