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(Q105306508)
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English
(1R,3R,5R,6S,8R,11S)-5-[(1S)-1-hydroxy-3-oxobutyl]-6,11-dimethyl-4,9-dioxatricyclo[6.3.0.03,5]undecan-10-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
5-(1-Hydroxy-3-oxobutyl)-6,11-dimethyl-4,9-dioxatricyclo[6.3.0.03,5]undecan-10-one
1 reference
based on heuristic
inferred from SMILES
mass
282.146723804
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₅H₂₂O₅
0 references
canonical SMILES
O=C1OC2CC(C)C3(OC3CC2C1C)C(O)CC(=O)C
0 references
isomeric SMILES
CC(=O)C[C@H](O)[C@@]12O[C@@H]1C[C@@H]1[C@H](C)C(=O)O[C@@H]1C[C@@H]2C
0 references
found in taxon
Xanthium strumarium
1 reference
stated in
Xanthanolides and a bis-norxanthanolide from Xanthium cavanillesii
Identifiers
InChI
InChI=1S/C15H22O5/c1-7-4-11-10(9(3)14(18)19-11)6-13-15(7,20-13)12(17)5-8(2)16/h7,9-13,17H,4-6H2,1-3H3/t7-,9-,10+,11+,12-,13+,15+/m0/s1
0 references
InChIKey
WITRFXGTJJAVND-KTSPJZDJSA-N
0 references
PubChem CID
162846439
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
WITRFXGTJJAVND-KTSPJZDJSA-N
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