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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H27ClO7
Molecular Weight 438.899
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Methyl 1-C-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-?-D-glucopyranoside

SMILES

CCOC1=CC=C(CC2=CC(=CC=C2Cl)[C@@]3(OC)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C=C1

InChI

InChIKey=GKTWLVVOULBRDU-QMCAAQAGSA-N
InChI=1S/C22H27ClO7/c1-3-29-16-7-4-13(5-8-16)10-14-11-15(6-9-17(14)23)22(28-2)21(27)20(26)19(25)18(12-24)30-22/h4-9,11,18-21,24-27H,3,10,12H2,1-2H3/t18-,19-,20+,21-,22-/m1/s1

HIDE SMILES / InChI

Molecular Formula C22H27ClO7
Molecular Weight 438.899
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 19:34:31 GMT 2025
Edited
by admin
on Wed Apr 02 19:34:31 GMT 2025
Record UNII
8YP9RE8HHF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
?-D-Glucopyranoside, methyl 1-C-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-
Preferred Name English
Methyl 1-C-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-?-D-glucopyranoside
Systematic Name English
Code System Code Type Description
PUBCHEM
124407862
Created by admin on Wed Apr 02 19:34:31 GMT 2025 , Edited by admin on Wed Apr 02 19:34:31 GMT 2025
PRIMARY
FDA UNII
8YP9RE8HHF
Created by admin on Wed Apr 02 19:34:31 GMT 2025 , Edited by admin on Wed Apr 02 19:34:31 GMT 2025
PRIMARY
CAS
1528636-07-8
Created by admin on Wed Apr 02 19:34:31 GMT 2025 , Edited by admin on Wed Apr 02 19:34:31 GMT 2025
PRIMARY