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Details

Stereochemistry ABSOLUTE
Molecular Formula C48H74O20
Molecular Weight 971.0892
Optical Activity UNSPECIFIED
Defined Stereocenters 25 / 25
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of URALSAPONIN R

SMILES

C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)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@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=KLASAGYILRZOSA-YJVCLKQOSA-N
InChI=1S/C48H74O20/c1-19-27(52)29(54)33(58)39(63-19)67-35-30(55)28(53)23(18-49)64-40(35)68-36-32(57)31(56)34(38(59)60)66-41(36)65-26-10-11-45(5)24(43(26,2)3)9-12-48(8)37(45)22(50)15-20-21-16-46(6,42(61)62)25(51)17-44(21,4)13-14-47(20,48)7/h15,19,21,23-37,39-41,49,51-58H,9-14,16-18H2,1-8H3,(H,59,60)(H,61,62)/t19-,21-,23+,24-,25+,26-,27-,28+,29+,30-,31+,32-,33+,34-,35+,36+,37+,39-,40-,41+,44-,45-,46+,47+,48+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
3.BETA.-O-(.ALPHA.-L-RHAMNOPYRANOSYL-(1->2)-.BETA.-D-GLUCOPYRANOSYL-(1->2)-.BETA.-D-GALACTURONOPYRANOSYL)-21.ALPHA.-HYDROXY-11-OXO-OLEAN-12-EN-30-OIC ACID
Preferred Name English
URALSAPONIN R
Common Name English
.BETA.-D-GALACTOPYRANOSIDURONIC 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-GLUCOPYRANOSYL-(1->2)-
Systematic Name English
Code System Code Type Description
CAS
1616062-83-9
Created by admin on Mon Mar 31 20:56:18 GMT 2025 , Edited by admin on Mon Mar 31 20:56:18 GMT 2025
PRIMARY
PUBCHEM
162623584
Created by admin on Mon Mar 31 20:56:18 GMT 2025 , Edited by admin on Mon Mar 31 20:56:18 GMT 2025
PRIMARY
FDA UNII
U6BLS4D8ER
Created by admin on Mon Mar 31 20:56:18 GMT 2025 , Edited by admin on Mon Mar 31 20:56:18 GMT 2025
PRIMARY