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(Q105144505)
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(3aR,7S,8aS)-6-[(3S)-3-hydroxybutyl]-7-methyl-3-methylidene-4,7,8,8a-tetrahydro-3aH-cyclohepta[b]furan-2-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
(3aR,7R,8aS)-6-(3-hydroxybutyl)-7-methyl-3-methylidene-4,7,8,8a-tetrahydro-3aH-cyclohepta[b]furan-2-one
1 reference
based on heuristic
inferred from SMILES
6-(3-hydroxybutyl)-7-methyl-3-methylidene-4,7,8,8a-tetrahydro-3aH-cyclohepta[b]furan-2-one
1 reference
based on heuristic
inferred from SMILES
4H-Tomentosin
1 reference
based on heuristic
inferred from SMILES
(3aR,7R,8aR)-6-(3-hydroxybutyl)-7-methyl-3-methylidene-4,7,8,8a-tetrahydro-3aH-cyclohepta[b]furan-2-one
1 reference
based on heuristic
inferred from SMILES
mass
250.156894564
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(3aR,7R,8aR)-6-[(3S)-3-hydroxybutyl]-7-methyl-3-methylidene-4,7,8,8a-tetrahydro-3aH-cyclohepta[b]furan-2-one
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(3aR,7S,8aR)-6-[(3S)-3-hydroxybutyl]-7-methyl-3-methylidene-4,7,8,8a-tetrahydro-3aH-cyclohepta[b]furan-2-one
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(3aR,7S,8aR)-6-[(3R)-3-hydroxybutyl]-7-methyl-3-methylidene-4,7,8,8a-tetrahydro-3aH-cyclohepta[b]furan-2-one
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₅H₂₂O₃
0 references
canonical SMILES
O=C1OC2CC(C(=CCC2C1=C)CCC(O)C)C
0 references
isomeric SMILES
C=C1C(=O)O[C@H]2C[C@H](C)C(CC[C@H](C)O)=CC[C@H]12
0 references
found in taxon
Xanthium strumarium
2 references
stated in
Antileishmanial and antifungal activities of xanthanolides isolated from Xanthium macrocarpum.
stated in
Xanthanolides from Xanthium: Absolute configuration of xanthanol, isoxanthanol and their C-4 epimers
Identifiers
InChI
InChI=1S/C15H22O3/c1-9-8-14-13(11(3)15(17)18-14)7-6-12(9)5-4-10(2)16/h6,9-10,13-14,16H,3-5,7-8H2,1-2H3/t9-,10-,13+,14-/m0/s1
0 references
InChIKey
KQEADOUDJYBGFC-ZNIXKSQXSA-N
0 references
PubChem CID
162867810
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
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