URALSAPONIN X

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C50H74O22
Molecular Weight	1027.1094
Optical Activity	UNSPECIFIED
Defined Stereocenters	25 / 25
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@H](O[C@H]2O[C@@H]3[C@@H](O)[C@H](O)[C@H](O[C@H]3O[C@H]4CC[C@@]5(C)[C@@H](CC[C@]6(C)[C@@H]5C(=O)C=C7[C@@H]8C[C@](C)(C[C@@H](OC(C)=O)[C@]8(C)CC[C@@]67C)C(O)=O)C4(C)C)C(O)=O)C(O)=O)[C@H](O)[C@H](O)[C@H]1O

InChI

InChIKey=CWRRYAWFDXCSDM-XTIAVVEZSA-N

InChI=1S/C50H74O22/c1-19-27(53)28(54)33(59)41(66-19)71-37-32(58)30(56)35(40(62)63)70-43(37)72-36-31(57)29(55)34(39(60)61)69-42(36)68-25-11-12-48(7)24(45(25,3)4)10-13-50(9)38(48)23(52)16-21-22-17-46(5,44(64)65)18-26(67-20(2)51)47(22,6)14-15-49(21,50)8/h16,19,22,24-38,41-43,53-59H,10-15,17-18H2,1-9H3,(H,60,61)(H,62,63)(H,64,65)/t19-,22-,24-,25-,26+,27-,28+,29-,30-,31-,32-,33+,34-,35-,36+,37+,38+,41-,42+,43-,46+,47+,48-,49+,50+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C50H74O22
Molecular Weight	1027.1094
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	25 / 25
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:59:55 GMT 2025` Edited by `admin` on `Mon Mar 31 21:59:55 GMT 2025`
Record UNII	PF9RBL8YHN
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

URALSAPONIN X

Common Name

English

3.BETA.-O-(.ALPHA.-L-RHAMNOPYRANOSYL-(1->2)-.BETA.-D-GLUCURONOPYRANOSYL-(1->2)-.BETA.-D-GLUCURONOPYRANOSYL)-22.BETA.-ACETOXY-11-OXO-OLEAN-12-EN-30-OIC ACID

Preferred Name

English

.BETA.-D-GLUCOPYRANOSIDURONIC ACID, (3.BETA.,20.BETA.,22.BETA.)-22-(ACETYLOXY)-20-CARBOXY-11-OXO-30-NOROLEAN-12-EN-3-YL O-6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL-(1->2)-O-.BETA.-D-GLUCOPYRANURONOSYL-(1->2)-

Systematic Name

English

Code System Code Type Description

CAS

1616062-89-5

Created by admin on Mon Mar 31 21:59:55 GMT 2025 , Edited by admin on Mon Mar 31 21:59:55 GMT 2025

PRIMARY

FDA UNII

PF9RBL8YHN

Created by admin on Mon Mar 31 21:59:55 GMT 2025 , Edited by admin on Mon Mar 31 21:59:55 GMT 2025

PRIMARY

PUBCHEM

91618087

Created by admin on Mon Mar 31 21:59:55 GMT 2025 , Edited by admin on Mon Mar 31 21:59:55 GMT 2025

PRIMARY

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