Basic Description

Synonyms	Diammonium glycyrrhizinate \| 79165-06-3 \| UNII-A9ZZD585U6 \| A9ZZD585U6 \| Glycyrrhizic acid, diammonium salt \| 18beta-Glycyrrhizic acid diammonium salt \| 53956-04-0 \| Glycyrrhizic acid ammonium salt \| Diammonium glycyrrhizinate (JAN) \| DIAMMONIUM GLYCYRRHIZINATE [JAN] \| alpha
Specifications & Purity	10mM in DMSO
Storage Temp	Store at -80°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Lipids and lipid-like molecules
  - Class Prenol lipids
    - Subclass Terpene glycosides
      - Level5 Triterpene glycosides
        Level6 Triterpene saponins

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
Class	Prenol lipids
Subclass	Terpene glycosides
Intermediate Tree Nodes	Triterpene glycosides
Direct Parent	Triterpene saponins
Alternative Parents	Triterpenoids O-glucuronides Disaccharides O-glycosyl compounds Tricarboxylic acids and derivatives Beta hydroxy acids and derivatives Cyclohexenones Pyrans Oxanes Secondary alcohols Acetals Polyols Carboxylic acids Oxacyclic compounds Organic oxides Hydrocarbon derivatives Organic nitrogen compounds
Molecular Framework	Aliphatic heteropolycyclic compounds
Substituents	Triterpene saponin - Triterpenoid - 1-o-glucuronide - O-glucuronide - Glucuronic acid or derivatives - Disaccharide - Glycosyl compound - O-glycosyl compound - Tricarboxylic acid or derivatives - Cyclohexenone - Beta-hydroxy acid - Pyran - Hydroxy acid - Oxane - Secondary alcohol - Ketone - Organoheterocyclic compound - Polyol - Acetal - Carboxylic acid - Carboxylic acid derivative - Oxacycle - Organic oxide - Organic oxygen compound - Alcohol - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Aliphatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as triterpene saponins. These are glycosylated derivatives of triterpene sapogenins. The sapogenin moiety backbone is usually based on the oleanane, ursane, taraxastane, bauerane, lanostane, lupeol, lupane, dammarane, cycloartane, friedelane, hopane, 9b,19-cyclo-lanostane, cycloartane, or cycloartanol skeleton.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	(2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid;azane
INCHI	InChI=1S/C42H62O16.2H3N/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);2*1H3/t19-,21-,22-,23-,24-,25-,26-,27+,28-,29-,30+,31+,34-,35-,38+,39-,40-,41+,42+;;/m0../s1
InChIKey	SPPIIOPGDLITJE-VLQRKCJKSA-N
Smiles	CC1(C2CCC3(C(C2(CCC1OC4C(C(C(C(O4)C(=O)O)O)O)OC5C(C(C(C(O5)C(=O)O)O)O)O)C)C(=O)C=C6C3(CCC7(C6CC(CC7)(C)C(=O)O)C)C)C)C.N.N
Isomeric SMILES	C[C@]12CC[C@](C[C@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)O)O)O)O)C)(C)C(=O)O.N.N
PubChem CID	656656
Molecular Weight	857

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	857.000 g/mol
XLogP3
Hydrogen Bond Donor Count	10
Hydrogen Bond Acceptor Count	18
Rotatable Bond Count	7
Exact Mass	856.457 Da
Monoisotopic Mass	856.457 Da
Topological Polar Surface Area	269.000 Å²
Heavy Atom Count	60
Formal Charge	0
Complexity	1730.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	19
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	3

Citations of This Product

How to Cite Aladdin Scientific Products?

1. Xinying Wang, Ming Gao, Zihan Wang, Weiqi Cui, Jingxian Zhang, Weijie Zhang, Yu Xia, Bo Wei, Youcai Tang, Xia Xu. (2021) Hepatoprotective effects of oridonin against bisphenol A induced liver injury in rats via inhibiting the activity of xanthione oxidase. SCIENCE OF THE TOTAL ENVIRONMENT, 770 (145301).
2. Yaxin Sun, Xinying Wang, Yuanyuan Zhou, Junhong Zhang, Weiqi Cui, Enyin Wang, Juan Du, Bo Wei, Xia Xu. (2021) Protective effect of metformin on BPA-induced liver toxicity in rats through upregulation of cystathionine β synthase and cystathionine γ lyase expression. SCIENCE OF THE TOTAL ENVIRONMENT, 750 (141685).
3. Xu He, Xiuhong Peng, Suyu Zhang, Tianfeng Yang, Jian Huo, Yanmin Zhang. (2024) Hepatoprotective effect of diammonium glycyrrhizinate and neuroprotective effect of piperazine ferulate on AmB-induced liver and kidney injury by suppressing apoptosis in vitro and in vivo. TOXICON, 246 (107795).

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Diammonium glycyrrhizinate - 10mM in DMSO, high purity , CAS No.79165-06-3