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(Q105382352)
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English
Subcordatolide A
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
(6a,9-dihydroxy-9-methyl-3,6-dimethylidene-2-oxo-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-4-yl) 2-methylpropanoate
1 reference
based on heuristic
inferred from SMILES
mass
348.157288488
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
[(3aR,4R,6aR,9R,9aS,9bS)-6a,9-dihydroxy-9-methyl-3,6-dimethylidene-2-oxo-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-4-yl] 2-methylpropanoate
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₉H₂₄O₆
0 references
canonical SMILES
O=C1OC2C(C1=C)C(OC(=O)C(C)C)CC(=C)C3(O)C=CC(O)(C)C23
0 references
isomeric SMILES
C=C1C(=O)O[C@@H]2[C@H]3[C@@](C)(O)C=C[C@@]3(O)C(=C)C[C@@H](OC(=O)C(C)C)[C@@H]12
0 references
found in taxon
Calea subcordata
2 references
stated in
Guaianolides from Calea subcordata
stated in
Guaianolides from Calea subcordata
Identifiers
InChI
InChI=1S/C19H24O6/c1-9(2)16(20)24-12-8-10(3)19(23)7-6-18(5,22)15(19)14-13(12)11(4)17(21)25-14/h6-7,9,12-15,22-23H,3-4,8H2,1-2,5H3/t12-,13-,14+,15+,18+,19-/m1/s1
0 references
InChIKey
ZRZIRCKBDMOKBF-ZXLUBNEZSA-N
0 references
PubChem CID
101320302
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
ZRZIRCKBDMOKBF-ZXLUBNEZSA-N
UniChem compound ID
96639898
1 reference
stated in
UniChem
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