AMMONIUM GLYCYRRHIZATE PENTAHYDRATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C42H62O16.5H2O.H3N
Molecular Weight	930.039
Optical Activity	UNSPECIFIED
Defined Stereocenters	19 / 19
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of AMMONIUM GLYCYRRHIZATE PENTAHYDRATE

Structure Search

SMILES

N.O.O.O.O.O.[H][C@@]12C[C@](C)(CC[C@]1(C)CC[C@]3(C)C2=CC(=O)[C@]4([H])[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@]5([H])CC[C@@]34C)C(O)=O

InChI

InChIKey=YTXJXSKSPIUKIU-TYWIYPESSA-N

InChI=1S/C42H62O16.H3N.5H2O/c1-37(2)21-8-11-42(7)31(20(43)16-18-19-17-39(4,36(53)54)13-12-38(19,3)14-15-41(18,42)6)40(21,5)10-9-22(37)55-35-30(26(47)25(46)29(57-35)33(51)52)58-34-27(48)23(44)24(45)28(56-34)32(49)50;;;;;;/h16,19,21-31,34-35,44-48H,8-15,17H2,1-7H3,(H,49,50)(H,51,52)(H,53,54);1H3;5*1H2/t19-,21-,22-,23-,24-,25-,26-,27+,28-,29-,30+,31+,34-,35-,38+,39-,40-,41+,42+;;;;;;/m0....../s1

HIDE SMILES / InChI

Molecular Formula	C42H62O16
Molecular Weight	822.9321
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	19 / 19
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	H3N
Molecular Weight	17.0305
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	H2O
Molecular Weight	18.0153
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 19:12:48 UTC 2023` Edited by `admin` on `Fri Dec 15 19:12:48 UTC 2023`
Record UNII	1Z1Y4QY887
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

AMMONIUM GLYCYRRHIZATE PENTAHYDRATE

Common Name

English

.ALPHA.-D-GLUCOPYRANOSIDURONIC ACID, (3.BETA.,20.BETA.)-20-CARBOXY-11-OXO-30-NOROLEAN-12-EN-3-YL 2-O-.BETA.-D-GLUCOPYRANURONOSYL-, MONOAMMONIUM SALT, PENTAHYDRATE

Common Name

English

GLYCYRRHIZIN, AMMONIATED PENTAHYDRATE

Common Name

English

Code System Code Type Description

CAS

132215-36-2