CASCAROSIDE B

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 Search

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

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 22:09:01 GMT 2025` Edited by `admin` on `Mon Mar 31 22:09:01 GMT 2025`
Record UNII	39GRF8ND7D
Record Status	`Validated (UNII)`
Record Version

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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

Related Record Type Details


					4VBP01X99F

FRANGULA PURSHIANA BARK

PARENT -> CONSTITUENT ALWAYS PRESENT

Comments:

From the dried bark of Frangula purshiana Cooper syn. Rhamnus purshiana DC.(Cascara Sagrada)


					4VBP01X99F

FRANGULA PURSHIANA BARK

PARENT -> CONSTITUENT ALWAYS PRESENT