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Details

Stereochemistry ABSOLUTE
Molecular Formula C27H32O14
Molecular Weight 580.5346
Optical Activity UNSPECIFIED
Defined Stereocenters 11 / 11
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CASCAROSIDE B

SMILES

OC[C@H]1O[C@@H](OC2=C3C(=O)C4=C(O)C=C(CO)C=C4[C@H]([C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C3=CC=C2)[C@H](O)[C@@H](O)[C@@H]1O

InChI

InChIKey=MNAYRSRTNMVAPR-OPEXUXIQSA-N
InChI=1S/C27H32O14/c28-6-9-4-11-16(26-24(37)22(35)19(32)14(7-29)39-26)10-2-1-3-13(18(10)21(34)17(11)12(31)5-9)40-27-25(38)23(36)20(33)15(8-30)41-27/h1-5,14-16,19-20,22-33,35-38H,6-8H2/t14-,15-,16-,19-,20-,22+,23+,24-,25-,26+,27-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
(-)-CASCAROSIDE B
Preferred Name English
CASCAROSIDE B
Common Name English
CASCAROSIDE B (CONSTITUENT OF CASCARA SAGRADA) [DSC]
Common Name English
9(10H)-ANTHRACENONE, 10-.BETA.-D-GLUCOPYRANOSYL-8-(.BETA.-D-GLUCOPYRANOSYLOXY)-1-HYDROXY-3-(HYDROXYMETHYL)-, (10R)-
Systematic Name English
Code System Code Type Description
FDA UNII
39GRF8ND7D
Created by admin on Mon Mar 31 22:09:01 GMT 2025 , Edited by admin on Mon Mar 31 22:09:01 GMT 2025
PRIMARY
EPA CompTox
DTXSID501317649
Created by admin on Mon Mar 31 22:09:01 GMT 2025 , Edited by admin on Mon Mar 31 22:09:01 GMT 2025
PRIMARY
PUBCHEM
14605093
Created by admin on Mon Mar 31 22:09:01 GMT 2025 , Edited by admin on Mon Mar 31 22:09:01 GMT 2025
PRIMARY
CAS
53861-34-0
Created by admin on Mon Mar 31 22:09:01 GMT 2025 , Edited by admin on Mon Mar 31 22:09:01 GMT 2025
PRIMARY