URALSAPONIN F

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C44H64O19
Molecular Weight	896.9676
Optical Activity	UNSPECIFIED
Defined Stereocenters	21 / 21
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]7(O[C@@H]1[C@@H](O)[C@H](O)[C@H](O[C@@]1([H])O[C@H]2CC[C@@]3(C)[C@@]([H])(CC[C@]4(C)[C@]3([H])C(=O)C=C5[C@]6([H])C[C@](C)(C[C@@H](OC(C)=O)[C@]6(C)CC[C@@]45C)C(O)=O)[C@@]2(C)CO)C(O)=O)O[C@@H]([C@@H](O)[C@H](O)[C@H]7O)C(O)=O

InChI

InChIKey=OIHAASBKFLBOND-OUMVFDBLSA-N

InChI=1S/C44H64O19/c1-18(46)59-24-16-39(2,38(57)58)15-20-19-14-21(47)33-41(4)10-9-23(42(5,17-45)22(41)8-11-44(33,7)43(19,6)13-12-40(20,24)3)60-37-32(28(51)27(50)31(62-37)35(55)56)63-36-29(52)25(48)26(49)30(61-36)34(53)54/h14,20,22-33,36-37,45,48-52H,8-13,15-17H2,1-7H3,(H,53,54)(H,55,56)(H,57,58)/t20-,22+,23-,24+,25-,26-,27-,28-,29+,30-,31-,32+,33+,36-,37+,39+,40+,41-,42+,43+,44+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C44H64O19
Molecular Weight	896.9676
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	21 / 21
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:35:14 UTC 2023` Edited by `admin` on `Sat Dec 16 08:35:14 UTC 2023`
Record UNII	053L27O50V
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

URALSAPONIN F

Common Name

English

.BETA.-D-GLUCOPYRANOSIDURONIC ACID, (3.BETA.,4.BETA.,20.BETA.,22.BETA.)-22-(ACETYLOXY)-20-CARBOXY-23-HYDROXY-11-OXO-30-NOROLEAN-12-EN-3-YL 2-O-.BETA.-D-GLUCOPYRANURONOSYL-

Systematic Name

English

22.BETA.-ACETOXYL LICORICE SAPONIN G2

Common Name

English

Code System Code Type Description

PUBCHEM

86278342

Created by admin on Sat Dec 16 08:35:14 UTC 2023 , Edited by admin on Sat Dec 16 08:35:14 UTC 2023

PRIMARY

FDA UNII

053L27O50V

Created by admin on Sat Dec 16 08:35:14 UTC 2023 , Edited by admin on Sat Dec 16 08:35:14 UTC 2023

PRIMARY

CAS

1208004-79-8

Created by admin on Sat Dec 16 08:35:14 UTC 2023 , Edited by admin on Sat Dec 16 08:35:14 UTC 2023

PRIMARY

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