URALSAPONIN Q

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C47H72O19
Molecular Weight	941.0632
Optical Activity	UNSPECIFIED
Defined Stereocenters	24 / 24
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)CO[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@H](O)C[C@]8(C)CC[C@@]67C)C(O)=O)C4(C)C)C(O)=O)[C@H](O)[C@H](O)[C@H]1O

InChI

InChIKey=OEFZCYUPYXIEHQ-JSJGBFBWSA-N

InChI=1S/C47H72O19/c1-19-27(51)29(53)32(56)38(62-19)65-34-28(52)23(49)18-61-39(34)66-35-31(55)30(54)33(37(57)58)64-40(35)63-26-10-11-44(5)24(42(26,2)3)9-12-47(8)36(44)22(48)15-20-21-16-45(6,41(59)60)25(50)17-43(21,4)13-14-46(20,47)7/h15,19,21,23-36,38-40,49-56H,9-14,16-18H2,1-8H3,(H,57,58)(H,59,60)/t19-,21-,23+,24-,25+,26-,27-,28-,29+,30-,31-,32+,33-,34+,35+,36+,38-,39-,40+,43-,44-,45+,46+,47+/m0/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

URALSAPONIN Q

Common Name

English

3.BETA.-O-(.ALPHA.-L-RHAMNOPYRANOSYL-(1->2)-.BETA.-D-XYLOPYRANOSYL-(1->2)-.BETA.-D-GLUCURONOPYRANOSYL)-21.ALPHA.-HYDROXY-11-OXO-OLEAN-12-EN-30-OIC ACID

Preferred Name

English

.BETA.-D-GLUCOPYRANOSIDURONIC ACID, (3.BETA.,20.BETA.,21.ALPHA.)-20-CARBOXY-21-HYDROXY-11-OXO-30-NOROLEAN-12-EN-3-YL O-6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL-(1->2)-O-.BETA.-D-XYLOPYRANOSYL-(1->2)-

Systematic Name

English

(3.BETA.,20.BETA.,21.ALPHA.)-20-CARBOXY-21-HYDROXY-11-OXO-30-NOROLEAN-12-EN-3-YL O-6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL-(1->2)-O-.BETA.-D-XYLOPYRANOSYL-(1->2)-.BETA.-D-GLUCOPYRANOSIDURONIC ACID

Systematic Name

English

Code System Code Type Description

FDA UNII

NS2DFK8U3Y

Created by admin on Mon Mar 31 21:03:36 GMT 2025 , Edited by admin on Mon Mar 31 21:03:36 GMT 2025

PRIMARY

CAS

1616062-82-8

Created by admin on Mon Mar 31 21:03:36 GMT 2025 , Edited by admin on Mon Mar 31 21:03:36 GMT 2025

PRIMARY

PUBCHEM

162623540

Created by admin on Mon Mar 31 21:03:36 GMT 2025 , Edited by admin on Mon Mar 31 21:03:36 GMT 2025

PRIMARY

SUBSTANCE RECORD


					NS2DFK8U3Y

URALSAPONIN Q