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(Q105125553)
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Crotafuran E
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
3'C-substituted isoflavan
0 references
mass
354.110338296
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(2S)-2-[(1R,12R)-16-hydroxy-6,11,19-trioxapentacyclo[10.8.0.02,10.05,9.013,18]icosa-2(10),3,5(9),7,13(18),14,16-heptaen-7-yl]propane-1,2-diol
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₂₀H₁₈O₆
0 references
canonical SMILES
OC1=CC=C2C(OCC3C4=CC=C5OC(=CC5=C4OC23)C(O)(C)CO)=C1
0 references
isomeric SMILES
C[C@@](O)(CO)c1cc2c3c(ccc2o1)[C@@H]1COc2cc(O)ccc2[C@@H]1O3
0 references
found in taxon
Crotalaria pallida
4 references
stated in
Anti-inflammatory constituents and new pterocarpanoid of Crotalaria pallida
stated in
Anti-inflammatory constituents and new pterocarpanoid of Crotalaria pallida
stated in
Anti-inflammatory flavonoids and pterocarpanoid from Crotalaria pallida and C. assamica
stated in
Anti-inflammatory constituents and new pterocarpanoid of Crotalaria pallida
Identifiers
InChI
InChI=1S/C20H18O6/c1-20(23,9-21)17-7-13-15(25-17)5-4-11-14-8-24-16-6-10(22)2-3-12(16)19(14)26-18(11)13/h2-7,14,19,21-23H,8-9H2,1H3/t14-,19-,20+/m0/s1
0 references
InChIKey
JDKOSPKTKADBCU-PNHOKKKMSA-N
0 references
PubChem CID
639695
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
JDKOSPKTKADBCU-PNHOKKKMSA-N
UniChem compound ID
33306789
1 reference
stated in
UniChem
NMRShiftDB structure ID
20000142
1 reference
matched by identifier from
InChIKey
InChIKey
JDKOSPKTKADBCU-PNHOKKKMSA-N
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