U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C28H30O14
Molecular Weight 590.5294
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PSEUDOBAPTIGENIN 7-RHAMNOGLUCOSIDE

SMILES

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=BYSWVDZWRHOULM-YSKKJLAQSA-N
InChI=1S/C28H30O14/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/t11-,19+,20-,22+,23+,24-,25+,26+,27+,28+/m0/s1

HIDE SMILES / InChI

Molecular Formula C28H30O14
Molecular Weight 590.5294
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 10 / 10
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 22:29:22 GMT 2025
Edited
by admin
on Mon Mar 31 22:29:22 GMT 2025
Record UNII
652A9R3D47
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PSEUDOBAPTIGENIN 7-RHAMNOGLUCOSIDE
Common Name English
NSC-127487
Preferred 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)-
Common Name English
PSEUDOBAPTIGIN
Common Name English
PSEUDOBAPTISIN ANHYDROUS
Common Name English
Code System Code Type Description
CAS
25776-06-1
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
21627904
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
EPA CompTox
DTXSID50948640
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
NSC
127487
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
FDA UNII
652A9R3D47
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
Related Record Type Details
SOLVATE->ANHYDROUS