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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 E

SMILES

[H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@]2([H])C3=C(C(=O)C4=C2C=C(O)C=C4O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C(O)=CC(C)=C3

InChI

InChIKey=VICGNLNFFZAFLT-OPEXUXIQSA-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 Sat Dec 16 08:32:09 GMT 2023
Edited
by admin
on Sat Dec 16 08:32:09 GMT 2023
Record UNII
70L96GE97H
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CASCAROSIDE E
Common Name English
CASCAROSIDE E (CONSTITUENT OF CASCARA SAGRADA) [DSC]
Common Name English
9(10H)-ANTHRACENONE, 10-.BETA.-D-GLUCOPYRANOSYL-1-(.BETA.-D-GLUCOPYRANOSYLOXY)-3,8-DIHYDROXY-6-METHYL-, (9R)-
Systematic Name English
Code System Code Type Description
PUBCHEM
72941714
Created by admin on Sat Dec 16 08:32:09 GMT 2023 , Edited by admin on Sat Dec 16 08:32:09 GMT 2023
PRIMARY
CAS
164178-32-9
Created by admin on Sat Dec 16 08:32:09 GMT 2023 , Edited by admin on Sat Dec 16 08:32:09 GMT 2023
PRIMARY
FDA UNII
70L96GE97H
Created by admin on Sat Dec 16 08:32:09 GMT 2023 , Edited by admin on Sat Dec 16 08:32:09 GMT 2023
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)