Basic Information |
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Product Name: | IXABEPILONE |
CAS: | 219989-84-1 |
English Synonyms: | BMS 247550-1 ; IXABEPILONE ; (1R,5S,6S,7R,10S,14S,16S)-6,10-DIHYDROXY-1,5,7,9,9-PENTAMETHYL-14-[(E)-1-(2-METHYL-1,3-THIAZOL-4-YL)PROP-1-EN-2-YL]-17-OXA-13-AZABICYCLO[14.1.0]HEPTADECANE-8,12-DIONE ; IXEMPRA ; AZAEPOTHILONE B |
MDL Number.: | MFCD04307791 |
H bond acceptor: | 7 |
H bond donor: | 3 |
Smile: | Cc1nc(cs1)/C=C(\C)/[C@@H]2C[C@H]3[C@](O3)(CCC[C@@H]([C@@H]([C@H](C(=O)C([C@H](CC(=O)N2)O)(C)C)C)O)C)C |
InChi: | InChI=1S/C27H42N2O5S/c1-15-9-8-10-27(7)22(34-27)12-20(16(2)11-19-14-35-18(4)28-19)29-23(31)13-21(30)26(5,6)25(33)17(3)24(15)32/h11,14-15,17,20-22,24,30,32H,8-10,12-13H2,1-7H3,(H,29,31)/b16-11+/t15-,17+,20-,21-,22-,24-,27+/m0/s1 |
InChiKey: | InChIKey=FABUFPQFXZVHFB-PVYNADRNSA-N |
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