| CAS Number | 219547-29-2 |
| Catalog Number | AG00C2ZK(AGN-PC-0WBMOU) |
| Chemical Name | N-Desacetyl-N-formyl Thiocolchicoside |
| IUPAC Name | N-[(7S)-1,2-dimethoxy-10-methylsulfanyl-9-oxo-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6,7-dihydro-5H-benzo[a]heptalen-7-yl]formamide |
| InChI | InChI=1S/C26H31NO10S/c1-34-24-17(36-26-23(33)22(32)21(31)18(10-28)37-26)8-12-4-6-15(27-11-29)14-9-16(30)19(38-3)7-5-13(14)20(12)25(24)35-2/h5,7-9,11,15,18,21-23,26,28,31-33H,4,6,10H2,1-3H3,(H,27,29)/t15-,18+,21+,22-,23+,26+/m0/s1 |
| InChI Key | HBTNEQNKAJFDDC-MSNGREAPSA-N |
| MDL Number | MFCD24386546 |
| Molecular Formula | C26H31NO10S |
| Molecular Weight | 549.5900 |
| SMILES | COc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc3CC[C@H](NC=O)C4=CC(=O)C(=CC=C4c3c1OC)SC |
| Synonyms | 219547-29-2,
N-Desacetyl-N-formyl Thiocolchicoside,
7-Demethylthiocolchicoside,
DTXSID80747502,
ZINC77286940,
FT-0665877,
N-[(7S)-3-(|A-D-Glucopyranosyloxy)-5,6,7,9-tetrahydro-1,2-dimethoxy-10-(methylthio)-9-oxobenzo[a]heptalen-7-yl]formamide,
N-[(7S)-3-(beta-D-Glucopyranosyloxy)-1,2-dimethoxy-10-(methylsulfanyl)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]formamide,
HBTNEQNKAJFDDC-MSNGREAPSA-N,
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