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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 F

SMILES

CC1=CC(O)=C2C(=O)C3=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C(O)C=C3[C@@H]([C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C2=C1

InChI

InChIKey=VICGNLNFFZAFLT-ZHVWOXMGSA-N
InChI=1S/C27H32O14/c1-8-2-10-16(26-24(37)22(35)19(32)14(6-28)39-26)11-4-9(30)5-13(18(11)21(34)17(10)12(31)3-8)40-27-25(38)23(36)20(33)15(7-29)41-27/h2-5,14-16,19-20,22-33,35-38H,6-7H2,1H3/t14-,15-,16+,19-,20-,22+,23+,24-,25-,26+,27-/m1/s1

HIDE SMILES / InChI

Molecular Formula C27H32O14
Molecular Weight 580.5346
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 11 / 11
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 22:09:02 GMT 2025
Edited
by admin
on Mon Mar 31 22:09:02 GMT 2025
Record UNII
C6GI1MI4TI
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CASCAROSIDE F (CONSTITUENT OF CASCARA SAGRADA) [DSC]
Preferred Name English
CASCAROSIDE F
Common Name English
9(10H)-ANTHRACENONE, 10-.BETA.-D-GLUCOPYRANOSYL-1-(.BETA.-D-GLUCOPYRANOSYLOXY)-3,8-DIHYDROXY-6-METHYL-, (10S)-
Systematic Name English
Code System Code Type Description
FDA UNII
C6GI1MI4TI
Created by admin on Mon Mar 31 22:09:02 GMT 2025 , Edited by admin on Mon Mar 31 22:09:02 GMT 2025
PRIMARY
CAS
164322-83-2
Created by admin on Mon Mar 31 22:09:02 GMT 2025 , Edited by admin on Mon Mar 31 22:09:02 GMT 2025
PRIMARY
EPA CompTox
DTXSID901317772
Created by admin on Mon Mar 31 22:09:02 GMT 2025 , Edited by admin on Mon Mar 31 22:09:02 GMT 2025
PRIMARY
PUBCHEM
72941715
Created by admin on Mon Mar 31 22:09:02 GMT 2025 , Edited by admin on Mon Mar 31 22:09:02 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT
PARENT -> CONSTITUENT ALWAYS PRESENT
From the dried bark of Frangula purshiana Cooper syn. Rhamnus purshiana DC.(Cascara Sagrada)