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Subcordatolide C
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
eudesmane sesquiterpenoid
0 references
mass
334.178023932
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
[(3aS,4R,4aS,8R,8aR,9aR)-8-hydroxy-8a-methyl-3,5-dimethylidene-2-oxo-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-4-yl] 2-methylpropanoate
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₁₉H₂₆O₅
0 references
canonical SMILES
O=C1OC2CC3(C)C(O)CCC(=C)C3C(OC(=O)C(C)C)C2C1=C
0 references
isomeric SMILES
CC(C)C(=O)O[C@H]1[C@H]2[C@@H](C[C@@]3([C@@H]1C(=C)CC[C@H]3O)C)OC(=O)C2=C
0 references
found in taxon
Calea subcordata
1 reference
stated in
The Molecular Structure of Subcordatolide C, a Eudesmanolide From Calea subcordata
Identifiers
InChI
InChI=1S/C19H26O5/c1-9(2)17(21)24-16-14-11(4)18(22)23-12(14)8-19(5)13(20)7-6-10(3)15(16)19/h9,12-16,20H,3-4,6-8H2,1-2,5H3/t12-,13-,14-,15-,16+,19+/m1/s1
0 references
InChIKey
GEAKLPVKLKYFLZ-LAOQMUKWSA-N
0 references
CAS Registry Number
95732-44-8
0 references
PubChem CID
185405
0 references
UniChem compound ID
48337221
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID80241939
1 reference
matched by identifier from
InChIKey
InChIKey
GEAKLPVKLKYFLZ-LAOQMUKWSA-N
DSSTOX compound identifier
DTXCID60164430
0 references
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