| 2D Structure | |
| CID | 11411086 |
| IUPAC Name | (1S,2R,4aS,6aR,6aR,6bR,8aR,10S,12aR,14bS)-1,2,6b,9,9,12a-hexamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a,6a-dicarboxylic acid |
| InChI | InChI=1S/C36H56O9/c1-18-10-15-35(30(40)41)16-17-36(31(42)43)21(25(35)19(18)2)8-9-23-33(6)13-12-24(32(4,5)22(33)11-14-34(23,36)7)45-29-28(39)27(38)26(37)20(3)44-29/h8,18-20,22-29,37-39H,9-17H2,1-7H3,(H,40,41)(H,42,43)/t18-,19+,20-,22+,23-,24+,25+,26-,27+,28-,29+,33+,34-,35+,36-/m1/s1 |
| InChI Key | PUOQHFWXBKTHST-DLCGLXBKSA-N |
| Canonical SMILES | None |
| Isomeric SMILES | None |
| Molecular Formula | C36H56O9 |
| Molecular Weight | 632.8 |
| synonyms | ['Quinovin', 'Chinovin', 'Quinovin [MI]', 'Quinova-bitter', '107870-05-3', 'UNII-5655DJH94B', '5655DJH94B', '3-O-(beta-D-Quinovopyranosyl)quinovic acid', '(1S,2R,4aS,6aR,6aR,6bR,8aR,10S,12aR,14bS)-1,2,6b,9,9,12a-hexamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a,6a-dicarboxylic acid', 'URS-12-ENE-27,28-dioic acid, 3-((6-deoxy-beta-D-glucopyranosyl)oxy)-, (3beta)-', '3-O-(.BETA.-D-QUINOVOPYRANOSYL)QUINOVIC ACID', 'URS-12-ENE-27,28-DIOIC ACID, 3-((6-DEOXY-.BETA.-D-GLUCOPYRANOSYL)OXY)-, (3.BETA.)-', '(1S,2R,4aS,6aR,6aR,6bR,8aR,10S,12aR,14bS)-1,2,6b,9,9,12a-hexamethyl-10-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a,6a-dicarboxylic acid', 'RefChem:178340', 'Quinovic acid 3-O-|A-D-quinovopyranoside', '53516-73-7', 'orb105489', 'HY-N1528', 'AKOS032948561', 'DA-77302', 'FS-10116', 'CS-0017077', 'Cinchonaglycoside A, >=95% (LC/MS-ELSD)', 'Q27261375'] |
From Pubchem