18β-Glycyrrhetinic acid

CAS	471-53-4
Structure
Synonyms	Rhetinic acid
IUPAC Name	(2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-Hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid
Molecular Weight	470.7
Canonical SMILES	CC1(C2CCC3(C(C2(CCC1O)C)C(=O)C=C4C3(CCC5(C4CC(CC5)(C)C(=O)O)C)C)C)C
InChI	InChI=1S/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34)/t19-,21-,22-,23+,26+,27-,28-,29+,30+/m0/s1
InChI Key	MPDGHEJMBKOTSU-YKLVYJNSSA-N
Boiling Point	492.11 °C
Melting Point	292-295 °C
Purity	95%+
Density	0.9967 g/cm³
Solubility	Soluble in acetic acid
Exact Mass	470.33960994
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)(C)C(=O)O
Monoisotopic Mass	470.33960994
Physical State	Crystalline powder
Storage Conditions	2-8 °C
Topological Polar Surface Area	74.6 Ų