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(Q105380916)
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English
Isobutyric acid [(4S)-4,4a,5,6,7,8,8aalpha,9-octahydro-3,4abeta,5beta-trimethyl-8-oxonaphtho[2,3-b]furan]-4beta-yl ester
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
(3,4a,5-Trimethyl-8-oxo-4,5,6,7,8a,9-hexahydrobenzo[f][1]benzofuran-4-yl) 2-methylpropanoate
1 reference
based on heuristic
inferred from SMILES
mass
318.183109312
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
Isobutyric acid [(4S)-4,4a,5,6,7,8,8abeta,9-octahydro-3,4abeta,5beta-trimethyl-8-oxonaphtho[2,3-b]furan]-4beta-yl ester
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₁₉H₂₆O₄
0 references
canonical SMILES
O=C(OC1C2=C(OC=C2C)CC3C(=O)CCC(C)C13C)C(C)C
0 references
isomeric SMILES
Cc1coc2c1[C@@H](OC(=O)C(C)C)[C@]1(C)[C@@H](C)CCC(=O)[C@H]1C2
0 references
found in taxon
Jacobaea auricula
1 reference
stated in
Furanoeremophilanes and a bakkenolide from Senecio auricula var. major
Senecio heliopsis
1 reference
stated in
Eremophilane derivatives and other constituents from Senecio species
Identifiers
InChI
InChI=1S/C19H26O4/c1-10(2)18(21)23-17-16-11(3)9-22-15(16)8-13-14(20)7-6-12(4)19(13,17)5/h9-10,12-13,17H,6-8H2,1-5H3/t12-,13+,17+,19+/m0/s1
0 references
InChIKey
ZPHXKYPRCCFEEM-CKFGLLJZSA-N
0 references
PubChem CID
101938833
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
ZPHXKYPRCCFEEM-CKFGLLJZSA-N
UniChem compound ID
97791108
1 reference
stated in
UniChem
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