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(Q105174539)
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English
[6-hydroxy-10-(hydroxymethyl)-6-methyl-3-methylidene-2-oxo-4,5,7,8,11,11a-hexahydro-3aH-cyclodeca[b]furan-4-yl] 2-(acetyloxymethyl)but-2-enoate
group of stereoisomers with the chemical formula C₂₂H₃₀O₈
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Statements
instance of
group of stereoisomers
0 references
subclass of
germacrane sesquiterpenoid
1 reference
inferred from
germacrane sesquiterpenoid
mass
422.19406792
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₂H₃₀O₈
0 references
canonical SMILES
O=C(OC1CC(O)(C)CCC=C(CO)CC2OC(=O)C(=C)C21)C(=CC)COC(=O)C
0 references
found in taxon
Liatris gracilis
1 reference
stated in
Stereochemistry of chapliatrin and its congeners from Liatris gracilis
Identifiers
InChI
InChI=1S/C22H30O8/c1-5-16(12-28-14(3)24)21(26)30-18-10-22(4,27)8-6-7-15(11-23)9-17-19(18)13(2)20(25)29-17/h5,7,17-19,23,27H,2,6,8-12H2,1,3-4H3
0 references
InChIKey
MXSFJGBBCLJHSF-UHFFFAOYSA-N
0 references
PubChem CID
163033918
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
MXSFJGBBCLJHSF-UHFFFAOYSA-N
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