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(Q82985155)
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English
2-[(2H-1,3-Benzodioxol-5-yl)methyl]-3-[(3,4,5-trimethoxyphenyl)methyl]butane-1,4-diol
chemical compound
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No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
Dihydroclusin
1 reference
based on heuristic
inferred from InChIKey
mass
404.1835032359999
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
(-)-dihydroclusin
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₂H₂₈O₇
0 references
canonical SMILES
COc1cc(CC(CO)C(CO)Cc2ccc3c(c2)OCO3)cc(OC)c1OC
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
COC1=CC(=CC(=C1OC)OC)C[C@H](CO)[C@@H](CC2=CC3=C(C=C2)OCO3)CO
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Identifiers
InChI
InChI=1S/C22H28O7/c1-25-20-9-15(10-21(26-2)22(20)27-3)7-17(12-24)16(11-23)6-14-4-5-18-19(8-14)29-13-28-18/h4-5,8-10,16-17,23-24H,6-7,11-13H2,1-3H3/t16-,17+/m0/s1
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InChIKey
FDHFWHRGVDRJIK-DLBZAZTESA-N
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CAS Registry Number
73510-54-0
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PubChem CID
332807
1 reference
matched by identifier from
InChIKey
InChIKey
FDHFWHRGVDRJIK-DLBZAZTESA-N
UniChem compound ID
63755059
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID60994274
1 reference
matched by identifier from
InChIKey
InChIKey
FDHFWHRGVDRJIK-DLBZAZTESA-N
DSSTOX compound identifier
DTXCID401421312
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NSC number
332043
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