For research use only. Not for therapeutic Use.
| Catalog Number | R046866 |
| CAS Number | 819802-34-1 |
| Synonyms | (7S)-7-(Acetylamino)-5,6,7,9-tetrahydro-1,2-dimethoxy-10-(methylthio)-9-oxobenzo[a]heptalen-3-yl β-D-Glucopyranosiduronic Acid; |
| Molecular Formula | C27H31NO11S |
| Purity | ≥95% |
| Storage | -20°C |
| IUPAC Name | (2R,3R,4R,5S,6R)-6-[[(7S)-7-acetamido-1,2-dimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid |
| InChI | InChI=1S/C27H31NO11S/c1-11(29)28-15-7-5-12-9-17(38-27-22(33)20(31)21(32)25(39-27)26(34)35)23(36-2)24(37-3)19(12)13-6-8-18(40-4)16(30)10-14(13)15/h6,8-10,15,20-22,25,27,31-33H,5,7H2,1-4H3,(H,28,29)(H,34,35)/t15-,20+,21+,22-,25+,27-/m0/s1 |
| InChIKey | JJEHAQVFBUIDIV-IMCCAWCASA-N |
| SMILES | CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)OC)OC4C(C(C(C(O4)C(=O)O)O)O)O |
