| 2D Structure | |
| CID | 88708 |
| IUPAC Name | (3S,4R)-4-ethenyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,6-dihydro-3H-pyrano[3,4-c]pyran-8-one |
| InChI | InChI=1S/C16H20O9/c1-2-7-8-3-4-22-14(21)9(8)6-23-15(7)25-16-13(20)12(19)11(18)10(5-17)24-16/h2-3,6-7,10-13,15-20H,1,4-5H2/t7-,10-,11-,12+,13-,15+,16+/m1/s1 |
| InChI Key | DUAGQYUORDTXOR-GPQRQXLASA-N |
| Canonical SMILES | None |
| Isomeric SMILES | None |
| Molecular Formula | C16H20O9 |
| Molecular Weight | 356.32 |
| synonyms | ['Gentiopicroside', 'Gentiopicrin', '20831-76-9', '0WE09Z21RC', 'DTXSID40878043', 'NSC-606402', '(3S,4R)-4-ethenyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,6-dihydro-3H-pyrano[3,4-c]pyran-8-one', '1H,3H-Pyrano(3,4-c)pyran-1-one, 5-ethenyl-6-(beta-D-glucopyranosyloxy)-5,6-dihydro-, (5R-trans)-', '(3S,4R)-4-ethenyl-3-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-4,6-dihydro-3H-pyrano(3,4-c)pyran-8-one', 'DTXCID501016106', '244-070-2', 'MFCD00075700', 'C16H20O9', 'CHEBI:5321', '1H,3H-Pyrano[3,4-c]pyran-1-one, 5-ethenyl-6-(beta-D-glucopyranosyloxy)-5,6-dihydro-, (5R,6S)-', 'Gentiopicroside, >=98% (HPLC)', '(5R,6S)-6-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-5-vinyl-5,6-dihydro-1H,3H-pyrano[3,4-c]pyran-1-one', 'Gentiopicroside?', '1H,3H-Pyrano[3,4-c]pyran-1-one, 5-ethenyl-6-(ss-D-glucopyranosyloxy)-5,6-dihydro-, (5R,6S)-; 1H,3H-Pyrano[3,4-c]pyran-1-one, 5-ethenyl-6-(ss-D-glucopyranosyloxy)-5,6-dihydro-, (5R-trans)-; Gentiopicrin (6CI); Gentiopicroside (7CI,8CI); (5R,6S)-5-Ethenyl-6-(ss-D-glucopyranosyloxy)-5,6-dihydro-1H,3H-pyrano[3,4-c]pyran-1-one; NSC 606402', 'GENTIOPICRIN [MI]', 'UNII-0WE09Z21RC', 'MLS002473254', 'SCHEMBL154304', 'CHEMBL508320', 'MEGxp0_000872', 'orb1305041', 'ACon1_001284', 'DUAGQYUORDTXOR-GPQRQXLASA-N', 'HMS2198G10', 'EX-A6716', 'HY-N0494', 'MSK40190', 'EINECS 244-070-2', 's3777', 'ZB1867', 'AKOS015896721', 'CCG-268110', 'LMPR0102070009', 'MG09586', 'NSC 606402', 'NCGC00180669-01', '1ST40190', 'AC-20248', 'AC-33960', 'AS-74360', 'SMR001397341', 'SY068964', 'CS-0009015', 'G0576', 'C09782', 'BRD-K33131085-001-01-5', 'BRD-K33131085-001-07-2', 'Q27106718', '(3S,4R)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-4-vinyl-4,6-dihydro-3H-pyrano[3,4-c]pyran-8-one', '(5R,6S)-5-ETHENYL-6-(.BETA.-D-GLUCOPYRANOSYLOXY)-5,6-DIHYDRO-1H,3H-PYRANO(3,4-C)PYRAN-1-ONE', '(5R,6S)-5-ethenyl-6-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,3H,5H,6H-pyrano[3,4-c]pyran-1-one', '(5R,6S)-6-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-5-vinyl-5,6-dihydropyrano[3,4-c]pyran-1(3H)-one', '(5R-trans)-6-(beta-D-Glucopyranosyloxy)-5,6-dihydro-5-vinyl-1H,3H-pyrano(3,4-c)pyran-1-one', '1H,3H-Pyrano[3,4-c]pyran-1-one, 5-ethenyl-6-(|A-D-glucopyranosyloxy)-5,6-dihydro-, (5R,6S)-'] |
From Pubchem