ESCIN VI

Details

Stereochemistry	UNKNOWN
Molecular Formula	C55H88O24
Molecular Weight	1133.2728
Optical Activity	UNSPECIFIED
Defined Stereocenters	27 / 28
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)CC)[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=YXYWCXXVPAPQIZ-CTHLTYCASA-N

InChI=1S/C55H88O24/c1-10-23(2)46(71)79-43-44(72-24(3)60)55(22-59)26(17-50(43,4)5)25-11-12-30-51(6)15-14-32(52(7,21-58)29(51)13-16-53(30,8)54(25,9)18-31(55)61)75-49-41(77-48-38(67)36(65)34(63)28(20-57)74-48)39(68)40(42(78-49)45(69)70)76-47-37(66)35(64)33(62)27(19-56)73-47/h11,23,26-44,47-49,56-59,61-68H,10,12-22H2,1-9H3,(H,69,70)/t23?,26-,27+,28+,29+,30+,31+,32-,33+,34+,35-,36-,37+,38+,39-,40-,41+,42-,43-,44-,47-,48-,49+,51-,52+,53+,54+,55-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C55H88O24
Molecular Weight	1133.2728
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	27 / 28
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:44:59 GMT 2023` Edited by `admin` on `Sat Dec 16 09:44:59 GMT 2023`
Record UNII	19JNG1YDHP
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ESCIN VI

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-(2-METHYLBUTYRATE) 22-ACETATE

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-OXOBUTOXY)OLEAN-12-EN-3-YL O-.BETA.-D-GLUCOPYRANOSYL-(1->2)-O-(.BETA.-D-GLUCOPYRANOSYL-(1->4))-

Common Name

English

Code System Code Type Description

FDA UNII

19JNG1YDHP

Created by admin on Sat Dec 16 09:44:59 GMT 2023 , Edited by admin on Sat Dec 16 09:44:59 GMT 2023

PRIMARY

PUBCHEM

91864491

Created by admin on Sat Dec 16 09:44:59 GMT 2023 , Edited by admin on Sat Dec 16 09:44:59 GMT 2023

PRIMARY

CAS

219944-33-9

Created by admin on Sat Dec 16 09:44:59 GMT 2023 , Edited by admin on Sat Dec 16 09:44:59 GMT 2023

PRIMARY

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ESCIN

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