CAS 79165-06-3 Glycyrrhizic Acid Di-Ammonium Salt Hydrate (P)

CAT	APS79165063
CAS	79165-06-3
Structure
IUPAC Name	diammonium;(2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,6aS,6bR,8aR,11R,12aR,14aR,14bR)-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-dihydroxy-tetrahydropyran-3-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid;hydrate
Molecular Weight	877.02
Molecular Formula	C43H62O15.H2O.2H4N
Canonical SMILES	[NH4+].[NH4+].O.CC1(C)[C@H](CC[C@]2(C)C1CC[C@@]3(C)[C@@H]2C(=O)C=C4[C@@H]5C[C@@](C)(CC[C@@]5(C)CC[C@]34C)C(=O)O)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
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

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