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(Q105207209)
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English
[(3aR,4S,6E,10Z,11aS)-4-hydroxy-6-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-10-yl]methyl acetate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
{4-hydroxy-6-methyl-3-methylidene-2-oxo-3aH,4H,5H,8H,9H,11aH-cyclodeca[b]furan-10-yl}methyl acetate
1 reference
based on heuristic
inferred from SMILES
mass
306.146723804
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
[(3aR,4S,6E,10E,11aS)-4-hydroxy-6-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-10-yl]methyl acetate
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
[(3aR,4S,6E,10Z,11aR)-4-hydroxy-6-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-10-yl]methyl acetate
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
[(3aS,4S,6E,10Z,11aR)-4-hydroxy-6-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-10-yl]methyl acetate
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₇H₂₂O₅
0 references
canonical SMILES
O=C1OC2C=C(COC(=O)C)CCC=C(C)CC(O)C2C1=C
0 references
isomeric SMILES
C=C1C(=O)O[C@H]2/C=C(\COC(C)=O)CC/C=C(\C)C[C@H](O)[C@@H]12
0 references
found in taxon
Dicoma schinzii
1 reference
stated in
Sesquiterpene lactones from Dicoma species
Identifiers
InChI
InChI=1S/C17H22O5/c1-10-5-4-6-13(9-21-12(3)18)8-15-16(14(19)7-10)11(2)17(20)22-15/h5,8,14-16,19H,2,4,6-7,9H2,1,3H3/b10-5+,13-8-/t14-,15-,16+/m0/s1
0 references
InChIKey
PENVAWWEHIPEFZ-PJBSCKKMSA-N
0 references
PubChem CID
162949970
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
PENVAWWEHIPEFZ-PJBSCKKMSA-N
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