URALSAPONIN T

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C48H74O19
Molecular Weight	955.0898
Optical Activity	( + )
Defined Stereocenters	24 / 24
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]8(O[C@@H]1CC(C)(C)C[C@@]2([H])C3=CC(=O)[C@]4([H])[C@@]5(C)CC[C@H](O[C@]6([H])O[C@@H]([C@@H](O)[C@H](O)[C@H]6O[C@]7([H])O[C@@H]([C@@H](O)[C@H](O)[C@H]7O)C(O)=O)C(O)=O)C(C)(C)[C@]5([H])CC[C@@]4(C)[C@]3(C)CC[C@@]12C)O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O

InChI

InChIKey=PDSBBERBJSPJMP-JNPZOHSNSA-N

InChI=1S/C48H74O19/c1-19-26(50)27(51)32(56)40(62-19)64-25-18-43(2,3)17-21-20-16-22(49)37-46(7)12-11-24(44(4,5)23(46)10-13-48(37,9)47(20,8)15-14-45(21,25)6)63-42-36(31(55)30(54)35(66-42)39(60)61)67-41-33(57)28(52)29(53)34(65-41)38(58)59/h16,19,21,23-37,40-42,50-57H,10-15,17-18H2,1-9H3,(H,58,59)(H,60,61)/t19-,21-,23-,24-,25+,26-,27+,28-,29-,30-,31-,32+,33+,34-,35-,36+,37+,40-,41-,42+,45+,46-,47+,48+/m0/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

URALSAPONIN T

Common Name

English

(2S,3S,4S,5R,6R)-6-((2R,3R,4S,5S,6S)-2-(((3S,4AR,6AR,6BS,8AR,9R,12AS,14AR,14BS)-4,4,6A,6B,8A,11,11,14B-OCTAMETHYL-14-OXO-9-((2R,3R,4R,5R,6S)-3,4,5-TRIHYDROXY-6-METHYLOXAN-2-YL)OXY-2,3,4A,5,6,7,8,9,10,12,12A,14A-DODECAHYDRO-1H-PICEN-3-YL)OXY)-6-CARBOXY-4,

Systematic Name

English

3.BETA.-O-(.BETA.-D-GLUCURONOPYRANOSYL-(1->2)-.BETA.-D-GLUCURONOPYRANOSYL)-22.BETA.-O-(.ALPHA.-L-RHAMNOPYRANOSYL)-11-OXO-OLEAN-12-ENE

Common Name

English

.BETA.-D-GLUCOPYRANOSIDURONIC ACID, (3.BETA.,22.BETA.)-22-((6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL)OXY)-11-OXOOLEAN-12-EN-3-YL 2-O-.BETA.-D-GLUCOPYRANURONOSYL-

Systematic Name

English

Code System Code Type Description

CAS

1616062-85-1

Created by admin on Sat Dec 16 01:54:27 GMT 2023 , Edited by admin on Sat Dec 16 01:54:27 GMT 2023

PRIMARY

PUBCHEM

118707637

Created by admin on Sat Dec 16 01:54:27 GMT 2023 , Edited by admin on Sat Dec 16 01:54:27 GMT 2023

PRIMARY

FDA UNII

ULU5RJ2785

Created by admin on Sat Dec 16 01:54:27 GMT 2023 , Edited by admin on Sat Dec 16 01:54:27 GMT 2023

PRIMARY

SUBSTANCE RECORD


					ULU5RJ2785

URALSAPONIN T