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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H22O8.2H2O
Molecular Weight 426.4144
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of POPULIN DIHYDRATE

SMILES

O.O.OCC1=C(O[C@@H]2O[C@H](COC(=O)C3=CC=CC=C3)[C@@H](O)[C@H](O)[C@H]2O)C=CC=C1

InChI

InChIKey=XPYPVKQTPCNZNQ-PJJCQYAXSA-N
InChI=1S/C20H22O8.2H2O/c21-10-13-8-4-5-9-14(13)27-20-18(24)17(23)16(22)15(28-20)11-26-19(25)12-6-2-1-3-7-12;;/h1-9,15-18,20-24H,10-11H2;2*1H2/t15-,16-,17+,18-,20-;;/m1../s1

HIDE SMILES / InChI

Approval Year

Name Type Language
POPULIN DIHYDRATE
MI  
Common Name English
.BETA.-D-GLUCOPYRANOSIDE, 2-(HYDROXYMETHYL)PHENYL, 6-BENZOATE, DIHYDRATE
Common Name English
POPULIN, DIHYDRATE
Common Name English
POPULIN DIHYDRATE [MI]
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID30223068
Created by admin on Sat Dec 16 05:30:22 UTC 2023 , Edited by admin on Sat Dec 16 05:30:22 UTC 2023
PRIMARY
MERCK INDEX
m8986
Created by admin on Sat Dec 16 05:30:22 UTC 2023 , Edited by admin on Sat Dec 16 05:30:22 UTC 2023
PRIMARY Merck Index
CAS
7276-44-0
Created by admin on Sat Dec 16 05:30:22 UTC 2023 , Edited by admin on Sat Dec 16 05:30:22 UTC 2023
PRIMARY
PUBCHEM
71586909
Created by admin on Sat Dec 16 05:30:22 UTC 2023 , Edited by admin on Sat Dec 16 05:30:22 UTC 2023
PRIMARY
FDA UNII
Z70C6N4LNN
Created by admin on Sat Dec 16 05:30:22 UTC 2023 , Edited by admin on Sat Dec 16 05:30:22 UTC 2023
PRIMARY