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(Q105344049)
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English
[(1S)-1-[(3S,3aR,7S,8aR)-3,7-dimethyl-2-oxo-3,3a,4,7,8,8a-hexahydrocyclohepta[b]furan-6-yl]-3-oxobutyl] acetate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
Dihydroxanthinin
1 reference
based on heuristic
inferred from SMILES
mass
308.162373868
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₇H₂₄O₅
0 references
canonical SMILES
O=C(OC(C1=CCC2C(OC(=O)C2C)CC1C)CC(=O)C)C
0 references
isomeric SMILES
CC(=O)C[C@H](OC(C)=O)C1=CC[C@@H]2[C@H](C)C(=O)O[C@@H]2C[C@@H]1C
0 references
found in taxon
Xanthium strumarium
1 reference
stated in
Xanthanolides and a bis-norxanthanolide from Xanthium cavanillesii
Identifiers
InChI
InChI=1S/C17H24O5/c1-9-7-15-14(11(3)17(20)22-15)6-5-13(9)16(8-10(2)18)21-12(4)19/h5,9,11,14-16H,6-8H2,1-4H3/t9-,11-,14+,15+,16-/m0/s1
0 references
InChIKey
XXKCCBFCBFYRGB-HQAAQNPSSA-N
0 references
PubChem CID
162889867
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
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