CASCAROSIDE F

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

[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-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 `Sat Dec 16 08:32:10 UTC 2023` Edited by `admin` on `Sat Dec 16 08:32:10 UTC 2023`
Record UNII	C6GI1MI4TI
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CASCAROSIDE F

Common Name

English

CASCAROSIDE F (CONSTITUENT OF CASCARA SAGRADA) [DSC]

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 Sat Dec 16 08:32:10 UTC 2023 , Edited by admin on Sat Dec 16 08:32:10 UTC 2023

PRIMARY

CAS

164322-83-2

Created by admin on Sat Dec 16 08:32:10 UTC 2023 , Edited by admin on Sat Dec 16 08:32:10 UTC 2023

PRIMARY

EPA CompTox

DTXSID901317772

Created by admin on Sat Dec 16 08:32:10 UTC 2023 , Edited by admin on Sat Dec 16 08:32:10 UTC 2023

PRIMARY

PUBCHEM

72941715

Created by admin on Sat Dec 16 08:32:10 UTC 2023 , Edited by admin on Sat Dec 16 08:32:10 UTC 2023

PRIMARY

Related Record Type Details


					4VBP01X99F

FRANGULA PURSHIANA BARK

PARENT -> CONSTITUENT ALWAYS PRESENT


					4VBP01X99F

FRANGULA PURSHIANA BARK

PARENT -> CONSTITUENT ALWAYS PRESENT

Comments:

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