18alpha-Glycyrrhetinic acid

CAS	1449-05-4
Structure
Synonyms	3-beta-Hydroxy-11-oxo-18-alpha-olean-12-en-30-oicacid
IUPAC Name	(2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bS)-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	470.68
Molecular Formula	C30H46O4
Canonical 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
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-/m1/s1
InChI Key	MPDGHEJMBKOTSU-PMTKVOBESA-N
Boiling Point	492.11 °C
Melting Point	331-333 °C
Purity	98%
Density	0.997 g/ml
pKa	4.71±0.70
Appearance	White powder