ESCIN V

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C54H86O24
Molecular Weight	1119.2462
Optical Activity	UNSPECIFIED
Defined Stereocenters	27 / 27
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]8(O[C@@]1([H])[C@H](O)[C@@]([H])(O[C@]2([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@]([H])(O[C@@]3([H])CC[C@@]4(C)[C@@]([H])(CC[C@]5(C)[C@]4([H])CC=C6[C@]7([H])CC(C)(C)[C@@H](OC(=O)C(C)C)[C@H](OC(C)=O)[C@]7(CO)[C@H](O)C[C@@]56C)[C@@]3(C)CO)O[C@@H]1C(O)=O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O

InChI

InChIKey=QNJDQOXANNQTAE-SKMDHJHASA-N

InChI=1S/C54H86O24/c1-22(2)45(70)78-42-43(71-23(3)59)54(21-58)25(16-49(42,4)5)24-10-11-29-50(6)14-13-31(51(7,20-57)28(50)12-15-52(29,8)53(24,9)17-30(54)60)74-48-40(76-47-37(66)35(64)33(62)27(19-56)73-47)38(67)39(41(77-48)44(68)69)75-46-36(65)34(63)32(61)26(18-55)72-46/h10,22,25-43,46-48,55-58,60-67H,11-21H2,1-9H3,(H,68,69)/t25-,26+,27+,28+,29+,30+,31-,32+,33+,34-,35-,36+,37+,38-,39-,40+,41-,42-,43-,46-,47-,48+,50-,51+,52+,53+,54-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C54H86O24
Molecular Weight	1119.2462
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	27 / 27
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 18:41:53 GMT 2023` Edited by `admin` on `Fri Dec 15 18:41:53 GMT 2023`
Record UNII	9S32RN9C5A
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ESCIN V

Common Name

English

.BETA.-D-GLUCOPYRANOSIDURONIC ACID, (3.BETA.,4.BETA.,16.ALPHA.,21.BETA.,22.ALPHA.)-22-(ACETYLOXY)-16,23,28-TRIHYDROXY-21-(2-METHYL-1-OXOPROPOXY)OLEAN-12-EN-3-YL O-.BETA.-D-GLUCOPYRANOSYL-(1->2)-O-(.BETA.-D-GLUCOPYRANOSYL-(1->4))-

Common Name

English

3.BETA.-(2-O,4-O-BIS(.BETA.-D-GLUCOPYRANOSYL)-.BETA.-D-GLUCOPYRANURONOSYLOXY)OLEAN-12-ENE-16.ALPHA.,21.BETA.,22.ALPHA.,24,28-PENTOL 21-ISOBUTYRATE 22-ACETATE

Common Name

English

Code System Code Type Description

PUBCHEM

91864490

Created by admin on Fri Dec 15 18:41:53 GMT 2023 , Edited by admin on Fri Dec 15 18:41:53 GMT 2023

PRIMARY

CAS

219944-26-0

Created by admin on Fri Dec 15 18:41:53 GMT 2023 , Edited by admin on Fri Dec 15 18:41:53 GMT 2023

PRIMARY

FDA UNII

9S32RN9C5A

Created by admin on Fri Dec 15 18:41:53 GMT 2023 , Edited by admin on Fri Dec 15 18:41:53 GMT 2023

PRIMARY

Related Record Type Details


					RUU8G67GQM

ESCIN

PARENT -> ACTIVE CONSTITUENT ALWAYS PRESENT

Qualification:

Scientific Literature