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(Q105174640)
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English
(9-Acetyloxy-8-hydroxy-3,8-dimethyl-12-methylidene-7,13-dioxo-5,14-dioxatricyclo[9.3.0.04,6]tetradecan-10-yl) 2-methylbut-2-enoate
group of stereoisomers with the chemical formula C₂₂H₂₈O₉
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Statements
instance of
group of stereoisomers
0 references
subclass of
germacrane sesquiterpenoid
1 reference
inferred from
germacrane sesquiterpenoid
mass
436.173332476
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₂H₂₈O₉
0 references
canonical SMILES
O=C(OC1C(OC(=O)C)C(O)(C(=O)C2OC2C(C)CC3OC(=O)C(=C)C31)C)C(=CC)C
0 references
found in taxon
Calea ternifolia
1 reference
stated in
Two sesquiterpene lactones of Calea ternifolia var. Calyculata
Identifiers
InChI
InChI=1S/C22H28O9/c1-7-9(2)20(25)31-16-14-11(4)21(26)29-13(14)8-10(3)15-17(30-15)18(24)22(6,27)19(16)28-12(5)23/h7,10,13-17,19,27H,4,8H2,1-3,5-6H3
0 references
InChIKey
MXVVWJJXANJEDP-UHFFFAOYSA-N
0 references
PubChem CID
163025466
2 references
stated in
PubChem
retrieved
2 January 2023
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
MXVVWJJXANJEDP-UHFFFAOYSA-N
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