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Details

Stereochemistry ABSOLUTE
Molecular Formula C28H30O14.3H2O
Molecular Weight 644.5752
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PSEUDOBAPTIGENIN 7-RHAMNOGLUCOSIDE TRIHYDRATE

SMILES

O.O.O.C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(C=C3)C(=O)C(=CO4)C5=CC6=C(OCO6)C=C5)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O

InChI

InChIKey=PMAQJISUAKGSOM-PHULQRBJSA-N
InChI=1S/C28H30O14.3H2O/c1-11-20(29)23(32)25(34)27(40-11)37-9-19-22(31)24(33)26(35)28(42-19)41-13-3-4-14-17(7-13)36-8-15(21(14)30)12-2-5-16-18(6-12)39-10-38-16;;;/h2-8,11,19-20,22-29,31-35H,9-10H2,1H3;3*1H2/t11-,19+,20-,22+,23+,24-,25+,26+,27+,28+;;;/m0.../s1

HIDE SMILES / InChI

Approval Year

Name Type Language
PSEUDOBAPTIGENIN 7-RHAMNOGLUCOSIDE TRIHYDRATE
MI  
Common Name English
4H-1-BENZOPYRAN-4-ONE, 3-(1,3-BENZODIOXOL-5-YL)-7-((6-O-(6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL)-.BETA.-D-GLUCOPYRANOSYL)OXY)-, TRIHYDRATE
Preferred Name English
PSEUDOBAPTIGENIN 7-RHAMNOGLUCOSIDE TRIHYDRATE [MI]
Common Name English
PSEUDOBAPTISIN
Common Name English
Code System Code Type Description
FDA UNII
VGT0LNP7EM
Created by admin on Mon Mar 31 22:29:22 GMT 2025 , Edited by admin on Mon Mar 31 22:29:22 GMT 2025
PRIMARY
PUBCHEM
76956447
Created by admin on Mon Mar 31 22:29:22 GMT 2025 , Edited by admin on Mon Mar 31 22:29:22 GMT 2025
PRIMARY
MERCK INDEX
m9289
Created by admin on Mon Mar 31 22:29:22 GMT 2025 , Edited by admin on Mon Mar 31 22:29:22 GMT 2025
PRIMARY Merck Index