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Details

Stereochemistry ABSOLUTE
Molecular Formula 4C42H59O16.9Mg
Molecular Weight 3498.378
Optical Activity UNSPECIFIED
Defined Stereocenters 76 / 76
E/Z Centers 0
Charge 6

SHOW SMILES / InChI
Structure of MAGNESIUM GLYCYRRHIZINATE

SMILES

[Mg++].[Mg++].[Mg++].[Mg++].[Mg++].[Mg++].[Mg++].[Mg++].[Mg++].[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)(CC[C@]6(C)CC[C@@]45C)C([O-])=O)C2(C)C)C([O-])=O)O[C@@H]([C@@H](O)[C@H](O)[C@H]7O)C([O-])=O.[H][C@@]%14(O[C@@H]8[C@@H](O)[C@H](O)[C@H](O[C@]8([H])O[C@H]9CC[C@@]%10(C)[C@@]([H])(CC[C@]%11(C)[C@]%10([H])C(=O)C=C%12[C@]%13([H])C[C@](C)(CC[C@]%13(C)CC[C@@]%11%12C)C([O-])=O)C9(C)C)C([O-])=O)O[C@@H]([C@@H](O)[C@H](O)[C@H]%14O)C([O-])=O.[H][C@@]%21(O[C@@H]%15[C@@H](O)[C@H](O)[C@H](O[C@]%15([H])O[C@H]%16CC[C@@]%17(C)[C@@]([H])(CC[C@]%18(C)[C@]%17([H])C(=O)C=C%19[C@]%20([H])C[C@](C)(CC[C@]%20(C)CC[C@@]%18%19C)C([O-])=O)C%16(C)C)C([O-])=O)O[C@@H]([C@@H](O)[C@H](O)[C@H]%21O)C([O-])=O.[H][C@@]%28(O[C@@H]%22[C@@H](O)[C@H](O)[C@H](O[C@]%22([H])O[C@H]%23CC[C@@]%24(C)[C@@]([H])(CC[C@]%25(C)[C@]%24([H])C(=O)C=C%26[C@]%27([H])C[C@](C)(CC[C@]%27(C)CC[C@@]%25%26C)C([O-])=O)C%23(C)C)C([O-])=O)O[C@@H]([C@@H](O)[C@H](O)[C@H]%28O)C([O-])=O

InChI

InChIKey=JJEHQPDDSCFWJY-UTVHMKFVSA-B
InChI=1S/4C42H62O16.9Mg/c4*1-37(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;;;;;;;;;/h4*16,19,21-31,34-35,44-48H,8-15,17H2,1-7H3,(H,49,50)(H,51,52)(H,53,54);;;;;;;;;/q;;;;9*+2/p-12/t4*19-,21-,22-,23-,24-,25-,26-,27+,28-,29-,30+,31+,34-,35-,38+,39-,40-,41+,42+;;;;;;;;;/m0000........./s1

HIDE SMILES / InChI

Molecular Formula C42H59O16
Molecular Weight 819.9083
Charge -3
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 19 / 19
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula Mg
Molecular Weight 24.305
Charge 2
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 Sat Dec 16 16:33:04 UTC 2023
Edited
by admin
on Sat Dec 16 16:33:04 UTC 2023
Record UNII
4U2UBI61D7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MAGNESIUM GLYCYRRHIZINATE
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-, MAGNESIUM SALT (2:3)
Systematic Name English
Code System Code Type Description
CAS
444046-50-8
Created by admin on Sat Dec 16 16:33:04 UTC 2023 , Edited by admin on Sat Dec 16 16:33:04 UTC 2023
PRIMARY
CAS
691410-17-0
Created by admin on Sat Dec 16 16:33:04 UTC 2023 , Edited by admin on Sat Dec 16 16:33:04 UTC 2023
NON-SPECIFIC STOICHIOMETRY
PUBCHEM
154584823
Created by admin on Sat Dec 16 16:33:04 UTC 2023 , Edited by admin on Sat Dec 16 16:33:04 UTC 2023
PRIMARY
FDA UNII
4U2UBI61D7
Created by admin on Sat Dec 16 16:33:04 UTC 2023 , Edited by admin on Sat Dec 16 16:33:04 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY