18-β-Glycyrrhetinic acid
18-β-Glycyrrhetinic acid Structure
Systematic / IUPAC Name: (3β)-3-Hydroxy-11-oxoolean-12-en-30-oic acid
ID: Reference1281
Other Names:
(3β,20β)-3-Hydroxy-11-oxo-olean-12-en-29-oic acid;
Olean-12-en-30-oic acid, 3β-hydroxy-11-oxo-;
(2S,4aS,6aS,6bR,8aR,10S,12aS,12bR,14bR)-10-Hydroxy-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;
Enoxolone;
Glycyrrhetinic acid
; more
Formula: C30H46O4
Class: Therapeutics/Prescription Drugs Endogenous Metabolites Natural Products/Medicines Excipients/Additives/Colorants
Spectral Data
18-β-Glycyrrhetinic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Orbitrap Elite; Q Exactive Orbitrap; Q Exactive Plus Orbitrap |
| No. of Spectral Trees | 4 |
| No. of Spectra | 3458 |
| Tandem Spectra | MS1, MS2, MS3, MS4, MS5 |
| Ionization Methods | ESI; NSI |
| Analyzers | IT; FT |
| Last Modification | 1/24/2017 12:22:55 PM |
Identificators
| 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 |
| Canonical SMILES | CC1(C2CCC3(C(C2(CCC1O)C)C(=O)C=C4C3(CCC5(C4CC(CC5)(C)C(=O)O)C)C)C)C |
| CAS | 471534 |
| Splash | |
| Other Names |
(3β,20β)-3-Hydroxy-11-oxo-olean-12-en-29-oic acid; Olean-12-en-30-oic acid, 3β-hydroxy-11-oxo-; (2S,4aS,6aS,6bR,8aR,10S,12aS,12bR,14bR)-10-Hydroxy-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; Enoxolone; Glycyrrhetinic acid; Uralenic acid; Glycyrrhetic acid; 18β-Glycyrrhetinic acid; Arthrodont; Rhetinic acid; Glycyrrhetin; α-Glycyrrhetinic acid; Biosone; 3-Glycyrrhetinic acid; Enoloxone |
In Other Databases
| PubChem | 10114 |
| Wikipedia | Enoxolone |
| ChemIDPlus | 000471534; 015301630; 004598667 |
| KEGG | C02283; D00156 |
| ChemSpider | 9710 |
| ChEBI | CHEBI:30853 |
| ChEMBL | CHEMBL230006 |