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(Q105146776)
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English
(3R)-3alpha,7beta-Dimethyl-6-(3-oxobutyl)-3,3aalpha,4,7,8,8aalpha-hexahydro-2H-cyclohepta[b]furan-2-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
3,7-Dimethyl-6-(3-oxobutyl)-3,3a,4,7,8,8a-hexahydrocyclohepta[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
(3R)-3alpha,7beta-Dimethyl-6-(3-oxobutyl)-3,3aalpha,4,7,8,8abeta-hexahydro-2H-cyclohepta[b]furan-2-one
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
11Alpha,13-Dihydrotomentosin
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₅H₂₂O₃
0 references
canonical SMILES
O=C1OC2CC(C(=CCC2C1C)CCC(=O)C)C
0 references
isomeric SMILES
CC(=O)CCC1=CC[C@H]2[C@@H](C[C@@H]1C)OC(=O)[C@@H]2C
0 references
found in taxon
Asteraceae
1 reference
stated in
Sesquiterpene lactones from Inula falconeri, a plant endemic to the Himalayas, as potential anti-inflammatory agents
Arnica amplexicaulis
1 reference
stated in
11Alpha,13-and 11beta,13-dihydro-4H-xanthalongin 4-O-beta-glucopyranosides: new sesquiterpene lactone glycosides from flowers of Arnica amplexicaulis and A. mollis
Arnica lanceolata
1 reference
stated in
11Alpha,13-and 11beta,13-dihydro-4H-xanthalongin 4-O-beta-glucopyranosides: new sesquiterpene lactone glycosides from flowers of Arnica amplexicaulis and A. mollis
Ligularia amplexicaulis
1 reference
stated in
11Alpha,13-and 11beta,13-dihydro-4H-xanthalongin 4-O-beta-glucopyranosides: new sesquiterpene lactone glycosides from flowers of Arnica amplexicaulis and A. mollis
Dittrichia graveolens
1 reference
stated in
Ichthyotoxic sesquiterpenes and xanthanolides from Dittrichia graveolens
Compositae
1 reference
stated in
Sesquiterpene lactones from Inula falconeri, a plant endemic to the Himalayas, as potential anti-inflammatory agents
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/h6,9,11,13-14H,4-5,7-8H2,1-3H3/t9-,11+,13+,14+/m0/s1
0 references
InChIKey
KVWUOMNJFDNWQM-RMIQQSQVSA-N
0 references
PubChem CID
14282664
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
KVWUOMNJFDNWQM-RMIQQSQVSA-N
UniChem compound ID
97249432
1 reference
stated in
UniChem
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