URALSAPONIN C

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C42H64O16
Molecular Weight	824.948
Optical Activity	UNSPECIFIED
Defined Stereocenters	20 / 20
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@]1(CO)C[C@@H](O)[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O[C@@H]7O[C@@H]([C@@H](O)[C@H](O)[C@H]7O)C(O)=O)C(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1

InChI

InChIKey=ZFSRTFFNWLQWAO-UEFFDLHQSA-N

InChI=1S/C42H64O16/c1-37(2)21-8-11-42(7)32(20(44)14-18-19-15-38(3,17-43)16-22(45)39(19,4)12-13-41(18,42)6)40(21,5)10-9-23(37)55-36-31(27(49)26(48)30(57-36)34(53)54)58-35-28(50)24(46)25(47)29(56-35)33(51)52/h14,19,21-32,35-36,43,45-50H,8-13,15-17H2,1-7H3,(H,51,52)(H,53,54)/t19-,21-,22+,23-,24-,25-,26-,27-,28+,29-,30-,31+,32+,35-,36+,38+,39+,40-,41+,42+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C42H64O16
Molecular Weight	824.948
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	20 / 20
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	1CW86HCS2A
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

.BETA.-D-GLUCOPYRANOSIDURONIC ACID, (3.BETA.,20.BETA.,22.BETA.)-22,29-DIHYDROXY-11-OXOOLEAN-12-EN-3-YL 2-O-.BETA.-D-GLUCOPYRANURONOSYL-

Preferred Name

English

URALSAPONIN C

Common Name

English

Code System Code Type Description

FDA UNII

1CW86HCS2A

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

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CAS

1262326-46-4

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

86278344

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

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Comments:

The compound did not show significant cytotoxicity against uninfected MDCK cells at 100 uM, but showed inhibitory activity against the H1N1 virus at 100 uM. The compound was also evaluated for anti-HIV activity.