Analyte Name

18Beta-Glycyrrhetinic Acid Hydrogen (1S)-cis-cyclohexane-1,2-dicarboxylate (Mixture of Diastereomers)

Molecular Formula

C38H56O7

Molecular Weight

624.85

Accurate Mass

624.4

SMILES

OC([C@@H]1[C@H](C(O[C@H]2CC[C@@]3(C)[C@](CC[C@]([C@@](CC[C@]4(C)[C@@]5([H])C[C@@](C)(C(O)=O)CC4)(C)C5=C6)(C)[C@]3([H])C6=O)([H])C2(C)C)=O)CCCC1)=O.OC([C@H]7[C@@H](C(O[C@H]8CC[C@@]9(C)[C@](CC[C@]([C@@](CC[C@]%10(C)[C@@]%11([H])C[C@@](C)(C(O)=O)CC%10)(C)C%11=C%12)(C)[C@]9([H])C%12=O)([H])C8(C)C)=O)CCCC7)=O

InChI

InChI=1S/2C38H56O7/c2*1-33(2)27-12-15-38(7)29(36(27,5)14-13-28(33)45-31(42)23-11-9-8-10-22(23)30(40)41)26(39)20-24-25-21-35(4,32(43)44)17-16-34(25,3)18-19-37(24,38)6/h2*20,22-23,25,27-29H,8-19,21H2,1-7H3,(H,40,41)(H,43,44)/t22-,23+,25+,27+,28+,29-,34-,35?,36+,37-,38-;22-,23+,25-,27-,28-,29+,34+,35?,36-,37+,38+/m10/s1

IUPAC

(2S,4aS,6aS,6bR,8aR,10S,12aS,12bR,14bR)-10-(((1S,2R)-2-carboxycyclohexane-1-carbonyl)oxy)-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-2-carboxylic acid + (2S,4aS,6aS,6bR,8aR,10S,12aS,12bR,14bR)-10-(((1R,2S)-2-carboxycyclohexane-1-carbonyl)oxy)-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-2-carboxylic acid

Alternate CAS Number

950665-60-8

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat