URALSAPONIN S

Details

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

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]8(O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@]1([H])O[C@@H]2[C@@H](O)[C@H](O)[C@H](O[C@@]2([H])O[C@H]3CC[C@@]4(C)[C@@]([H])(CC[C@]5(C)[C@]4([H])C(=O)C=C6[C@]7([H])C[C@](C)([C@H](O)C[C@]7(C)CC[C@@]56C)C(O)=O)C3(C)C)C(O)=O)O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O

InChI

InChIKey=KLASAGYILRZOSA-LKPFLFONSA-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

URALSAPONIN S

Common 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-GLUCOPYRANOSYL-(1->2)-

Common Name

English

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

Common Name

English

Code System Code Type Description

CAS

1616062-84-0

Created by admin on Sat Dec 16 01:54:52 GMT 2023 , Edited by admin on Sat Dec 16 01:54:52 GMT 2023

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PUBCHEM

118707636

Created by admin on Sat Dec 16 01:54:52 GMT 2023 , Edited by admin on Sat Dec 16 01:54:52 GMT 2023

PRIMARY

FDA UNII

C9HP2S2FTV

Created by admin on Sat Dec 16 01:54:52 GMT 2023 , Edited by admin on Sat Dec 16 01:54:52 GMT 2023

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SUBSTANCE RECORD


					C9HP2S2FTV

URALSAPONIN S