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(Q105274524)
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English
[(4S)-4-[(3aR,7aS)-6-(acetyloxymethyl)-3-methylidene-2-oxo-3a,4,7,7a-tetrahydro-1-benzofuran-5-yl]pentyl] acetate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
{5-[5-(acetyloxy)pentan-2-yl]-3-methylidene-2-oxo-3a,4,7,7a-tetrahydro-1-benzofuran-6-yl}methyl acetate
1 reference
based on heuristic
inferred from SMILES
mass
350.172938552
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₉H₂₆O₆
0 references
canonical SMILES
O=C1OC2CC(=C(CC2C1=C)C(C)CCCOC(=O)C)COC(=O)C
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isomeric SMILES
C=C1C(=O)O[C@H]2CC(COC(C)=O)=C([C@@H](C)CCCOC(C)=O)C[C@H]12
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found in taxon
Calostephane divaricata
1 reference
stated in
Cis-eudesman-12,6-olides from Calostephane divaricata
Identifiers
InChI
InChI=1S/C19H26O6/c1-11(6-5-7-23-13(3)20)16-9-17-12(2)19(22)25-18(17)8-15(16)10-24-14(4)21/h11,17-18H,2,5-10H2,1,3-4H3/t11-,17+,18-/m0/s1
0 references
InChIKey
UKGBQQUROCAJPL-PDSMFRHLSA-N
0 references
PubChem CID
14314487
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
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