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(Q115577051)
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(-)-episyringaresinol
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
syringaresinol
0 references
chemical structure
(-)-Episyringaresinol.svg
775 × 515; 21 KB
0 references
mass
418.16276779199995
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
4-[(3R,3aS,6R,6aR)-6-(4-hydroxy-3,5-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2,6-dimethoxyphenol
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
4-[(3S,3aS,6S,6aS)-6-(4-hydroxy-3,5-dimethoxy-phenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2,6-dimethoxy-phenol
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(+)-episyringaresinol
1 reference
based on heuristic
inferred from InChI
(-)-syringaresinol
1 reference
based on heuristic
inferred from InChI
(+)-syringaresinol
1 reference
based on heuristic
inferred from InChI
(+)-Lirioresinol C
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₂H₂₆O₈
0 references
canonical SMILES
COC1=CC(=CC(=C1O)OC)C2C3COC(C3CO2)C4=CC(=C(C(=C4)OC)O)OC
0 references
isomeric SMILES
COC1=CC(=CC(=C1O)OC)[C@H]2[C@@H]3CO[C@@H]([C@@H]3CO2)C4=CC(=C(C(=C4)OC)O)OC
0 references
Identifiers
InChI
InChI=1S/C22H26O8/c1-25-15-5-11(6-16(26-2)19(15)23)21-13-9-30-22(14(13)10-29-21)12-7-17(27-3)20(24)18(8-12)28-4/h5-8,13-14,21-24H,9-10H2,1-4H3/t13-,14-,21-,22+/m1/s1
0 references
InChIKey
KOWMJRJXZMEZLD-SRLQQUAWSA-N
0 references
CAS Registry Number
6216-82-6
2 references
stated in
SciFinder
stated in
CAS Common Chemistry
retrieved
31 December 2022
reference URL
https://commonchemistry.cas.org/detail?cas_rn=6216-82-6
InChIKey
KOWMJRJXZMEZLD-SRLQQUAWSA-N
based on heuristic
InChIKey match
PubChem CID
101663451
1 reference
matched by identifier from
InChIKey
InChIKey
KOWMJRJXZMEZLD-SRLQQUAWSA-N
UniChem compound ID
8447957
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID401314759
1 reference
matched by identifier from
InChIKey
InChIKey
KOWMJRJXZMEZLD-SRLQQUAWSA-N
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