| 2D Structure | |
| CID | 442435 |
| IUPAC Name | (3S,4R,4aR)-4-ethenyl-4a-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4,5,6-tetrahydropyrano[3,4-c]pyran-8-one |
| InChI | InChI=1S/C16H22O10/c1-2-7-14(24-6-8-13(21)23-4-3-16(7,8)22)26-15-12(20)11(19)10(18)9(5-17)25-15/h2,6-7,9-12,14-15,17-20,22H,1,3-5H2/t7-,9+,10+,11-,12+,14-,15-,16+/m0/s1 |
| InChI Key | HEYZWPRKKUGDCR-QBXMEVCASA-N |
| Canonical SMILES | None |
| Isomeric SMILES | None |
| Molecular Formula | C16H22O10 |
| Molecular Weight | 374.34 |
| synonyms | ['Swertiamarin', '17388-39-5', '(3S,4R,4aR)-4-ethenyl-4a-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4,5,6-tetrahydropyrano[3,4-c]pyran-8-one', '4038595T7Y', 'DTXSID50169676', '1H,3H-Pyrano[3,4-c]pyran-1-one, 5-ethenyl-6-(beta-D-glucopyranosyloxy)-4,4a,5,6-tetrahydro-4a-hydroxy-, (4aR,5R,6S)-', '(3S,4R,4aR)-4a-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-4-vinyl-3,4,5,6-tetrahydropyrano[3,4-c]pyran-8-one', '1H,3H-Pyrano(3,4-c)pyran-1-one, 5-ethenyl-6-(beta-d-glucopyranosyloxy)-4,4a,5,6-tetrahydro-4a-hydroxy-, (4aR,5R,6S)-', '(3S,4R,4aR)-4-ethenyl-4a-hydroxy-3-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-3,4,5,6-tetrahydropyrano(3,4-c)pyran-8-one', '(3S,4R,4aR)-4a-hydroxy-3-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl)oxy-4-vinyl-3,4,5,6-tetrahydropyrano(3,4-c)pyran-8-one', 'DTXCID5092167', 'Swertiamarine', 'MFCD07783984', 'Swertimarine', 'MLS002473253', 'CHEBI:9370', 'CHEMBL456138', '(4aR,5R,6S)-4a-Hydroxy-6-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-5-vinyl-4,4a,5,6-tetrahydropyrano[3,4-c]pyran-1(3H)-one', 'AC1L9CTK', 'UNII-4038595T7Y', 'SWERTAMARIN', 'BRN 0055278', 'Swertiamarin (Standard)', 'SWERTIAMARIN [MI]', 'SureCN422560', '4-19-00-02723 (Beilstein Handbook Reference)', 'SCHEMBL422560', 'SWERTIAMARIN [WHO-DD]', 'MEGxp0_000871', 'orb1305065', 'ACon1_000546', 'HY-N0807R', 'Swertiamarin, analytical standard', 'HEYZWPRKKUGDCR-QBXMEVCASA-N', 'HMS2205K13', 'HY-N0807', 's3927', 'AKOS015965365', 'AC-8039', 'CCG-268346', 'MS10475', 'Swertiamarin, >=95% (LC/MS-ELSD)', 'NCGC00168975-01', 'NCGC00168975-03', 'BS-16249', 'SMR001397340', 'CS-0009812', 'C09800', 'BRD-K15387485-001-01-1', 'Q27108363', 'F0001-0632', '1H,3H-PYRANO(3,4-C)PYRAN-1-ONE, 5-ETHENYL-6-(.BETA.-D-GLUCOPYRANOSYLOXY)-4,4A,5,6-TETRAHYDRO-4A-HYDROXY-, (4AR,5R,6S)-', '1H,3H-Pyrano(3,4-c)pyran-1-one, 5-ethenyl-6-(beta-D-glucopyranosyloxy)-4,4a,5,6-tetrahydro-4a-hydroxy-, (4aR-(4aalpha,5beta,6alpha))-', '1H,3H-Pyrano[3,4-c]pyran-1-one, 5-ethenyl-6-(|A-D-glucopyranosyloxy)-4,4a,5,6-tetrahydro-4a-hydroxy-, (4aR,5R,6S)-'] |
From Pubchem