| 2D Structure | |
| CID | 14982 |
| IUPAC Name | (2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-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-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid |
| InChI | InChI=1S/C42H62O16/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)/t19-,21-,22-,23-,24-,25-,26-,27+,28-,29-,30+,31+,34-,35-,38+,39-,40-,41+,42+/m0/s1 |
| InChI Key | LPLVUJXQOOQHMX-QWBHMCJMSA-N |
| Canonical SMILES | None |
| Isomeric SMILES | None |
| Molecular Formula | C42H62O16 |
| Molecular Weight | 822.9 |
| synonyms | ['Glycyrrhizic acid', 'glycyrrhizin', 'Glycyrrhizinic acid', '1405-86-3', 'Glycyron', 'potenlini', 'beta-Glycyrrhizin', 'Glycyrrhetinic acid glycoside', 'Glizigen', '18beta-Glycyrrhizic acid', 'glycyrrhizate', '18-beta-Glycyrrhizic acid', 'Glycyrrizin', 'Rizinsan K2 A2 (free acid)', 'HSDB 496', 'NSC-167409', 'NSC-234419', 'CHEBI:15939', 'EINECS 215-785-7', 'NSC 167409', 'NSC 234419', 'UNII-6FO62043WK', 'BRN 0077922', 'CCRIS 8444', 'DTXSID8047006', '6FO62043WK', '20beta-Carboxy-11-oxo-30-norolean-12-en-3beta-yl-2-O-beta-D-glucopyranuronosyl-alpha-D-glucopyranosiduronic acid', 'DTXCID6027006', '4-18-00-05156 (Beilstein Handbook Reference)', '(3beta,20beta)-20-carboxy-11-oxo-30-norolean-12-en-3-yl-2-O-beta-D-glucopyranuronosyl-alpha-D-glucopyranosiduronic acid', '30-hydroxy-11,30-dioxoolean-12-en-3beta-yl (2-O-beta-D-glucopyranosyluronic acid)-alpha-D-glucopyranosiduronic acid', 'alpha-D-Glucopyranosiduronic acid, (3beta,20beta)-20-carboxy-11-oxo-30-norolean-12-en-3-yl-2-O-beta-D-glucopyranuron osyl-', 'GLYCYRRHIZIN (II)', 'GLYCYRRHIZIN [II]', '(3beta,20beta)-20-carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucopyranuronosyl-alpha-D-glucopyranosiduronic acid', 'GLYCYRRHIZIC ACID (MART.)', 'GLYCYRRHIZIC ACID [MART.]', 'GLYCYRRHIZIC ACID (USP-RS)', 'GLYCYRRHIZIC ACID [USP-RS]', 'NSC167409', 'NSC234419', 'Acid, Glycyrrhizic', 'Acid, Glycyrrhizinic', 'RefChem:37949', 'alpha-D-glucopyranosiduronic acid, (3 beta,20 beta)-20-carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucopyranuronosyl-', 'GLYCYRRHIZIC ACID (GLYCYRRHIZIN) (CONSTITUENT OF LICORICE)', '(3beta,20beta)-20-Carboxy-11-oxo-30-norlean-12-en-3-yl-2-O-beta-1-7-glucopyranuronosyl-alpha-D-glucopyranosiduronic acid', '20BETA-CARBOXY-11-OXO-30-NOROLEAN-12-EN-3BETA-YL-2-O-BE TA-D-GLUCOPYRANURONOSYL-ALPHA-D-GLUCOPYRANOSIDURONIC ACID', '215-785-7', 'alpha-D-Glucopyranosiduronic acid, (3beta,20beta)-20-carboxy-11-oxo-30-norlean-12-en-3-yl-2-O-beta-1-7-glucopyranuronosyl-', 'glyzyrrhizin', 'Glycyrrhizin [JAN]', '.beta.-glycyrrhizin', '18.beta.-glycyrrhizic acid', 'Glycyrrhizinate', 'CHEMBL441687', 'C42H62O16', 'MFCD00065194', '(2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-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-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid', '(2S,3S,4S,5R,6S)-6-{[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-5-{[(2R,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy}-3,4-dihydroxyoxane-2-carboxylic acid', 'Glycyrrhizicacid', 'Neo-Umor', 'alpha-D-Glucopyranosiduronic acid, (3beta,20beta)-20-carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucopyranuronosyl-', '(2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-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', 'CAS-1405-86-3', 'glycyrrhiza acid', 'Glycyrrhizic?acid', 'Glycyrrhizic acid?', 'NCGC00183128-01', '(3b,20b)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-(b-D-glucopyranuronosyl)-b-D-glucopyranosiduronic acid', 'GM-1292', 'ammonium-glycyrrhizinate', 'Glycyrrhizic acid, 2K', 'beta-Glycyrrhizinic acid', 'Glycyrrhizic acid - 80%', 'Glycyrrhizic acid - 98%', 'GLYCYRRHIZIN [HSDB]', 'Epitope ID:2138075', 'SCHEMBL17684', 'BIDD:ER0363', 'GLYCYRRHIZIC ACID [MI]', 'GTPL4688', 'orb1305086', 'orb3139870', 'Glycyrrhizin (Glycyrrhizic Acid)', 'GLYCYRRHIZIC ACID [WHO-DD]', 'HY-N0184', 'MSK40365', 'Tox21_111520', 'Tox21_113426', 'Tox21_303493', 'BDBM50185127', 'EBC-17181', 'HMDB:0029843', 's2302', 'AKOS015893086', 'AKOS015969345', 'CCG-270511', 'CS-7695', 'DB13751', 'OG08293', 'NCGC00257455-01', 'NCGC00386162-01', 'NCGC00386162-02', '(3beta,20beta)-20-Carboxy-11-oxo-30-norlean-12-en-3-yl-2-O-beta-1- 7-glucopyranuronosyl-alpha-D-glucopyranosiduronic acid', 'alpha-D-Glucopyranosiduronic acid, (3beta,20beta)-20-carboxy-11-oxo-30-norlean-12-en-3-yl-2-O-beta-1- 7-glucopyranuronosyl-', 'AS-13001', 'E958', 'SY017548', 'XG180042', 'G0150', 'NS00008393', 'AB01566834_01', 'EN300-25023649', 'Q418705', 'BRD-K83486494-318-01-5', 'GLYCYRRHIZIC ACID (GLYCYRRHIZIN) (CONSTITUENT OF LICORICE) [DSC]', 'Glycyrrhizic acid, United States Pharmacopeia (USP) Reference Standard', '3-O-(2-O-b-D-Glucopyran uronosyl-a-D-glucopyranuronosyl)-18-b-glycyrrhetinic acid', 'Glycyrrhizic Acid, Pharmaceutical Secondary Standard; Certified Reference Material', '(2S,3S,4S,5R,6R)-6-(((2S,3R,4S,5S,6S)-6-carboxy-2-(((3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl)oxy)-4,5-dihydroxytetrahydro-2H-pyran-3-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid', '(2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-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-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylicacid', '(3.beta.,20.beta.)-20-Carboxy-11-oxo-30-norlean-12-en-3-yl-2-O-.beta.-1- 7-glucopyranuronosyl-.alpha.-D-glucopyranosiduronic acid', '(3.BETA.,20.BETA.)-20-CARBOXY-11-OXO-30-NOROLEAN-12-EN-3-YL 2-O-.BETA.-D-GLUCOPYRANURONOSYL-.ALPHA.-D-GLUCOPYRANOSIDURONIC ACID', '30-hydroxy-11,30-dioxoolean-12-en-3beta-yl 2-O-beta-D-glucopyranuronosyl-alpha-D-glucopyranosiduronic acid'] |
From Pubchem