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(Q104997060)
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English
[(3R,3aS,7R,9S,10Z,11aR)-7,9-dihydroxy-3-methyl-6-methylidene-2-oxo-3,3a,4,5,7,8,9,11a-octahydrocyclodeca[b]furan-10-yl]methyl acetate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
germacrane sesquiterpenoid
0 references
mass
324.157288488
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
[(3R,3aS,7R,9S,11aR)-7,9-dihydroxy-3-methyl-6-methylidene-2-oxo-3,3a,4,5,7,8,9,11a-octahydrocyclodeca[b]furan-10-yl]methyl acetate
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₇H₂₄O₆
0 references
canonical SMILES
O=C(OCC1=CC2OC(=O)C(C)C2CCC(=C)C(O)CC1O)C
0 references
isomeric SMILES
C=C1CC[C@@H]2[C@H](/C=C(/COC(C)=O)[C@@H](O)C[C@H]1O)OC(=O)[C@@H]2C
0 references
found in taxon
Chrysanthemum naktongense
1 reference
stated in
Sesquiterpenes and other constituents from Dendranthema zawadskii var. latilobum
Identifiers
InChI
InChI=1S/C17H24O6/c1-9-4-5-13-10(2)17(21)23-16(13)6-12(8-22-11(3)18)15(20)7-14(9)19/h6,10,13-16,19-20H,1,4-5,7-8H2,2-3H3/b12-6-/t10-,13+,14-,15+,16+/m1/s1
0 references
InChIKey
FLGIXLWYWUHFIT-SIWJCSAMSA-N
0 references
PubChem CID
56969007
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
UniChem compound ID
33805051
1 reference
stated in
UniChem
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