Tetrocarcin E(2)
[CAS# 83259-66-9]

Identification

• Name: Tetrocarcin E(2)
• Synonyms: Tetronolide, 9-O-(3-O-Acetyl-2,6-Dideoxy-Alpha-L-Ribo-Hexopyranosyl)-17-O-(2,3,4,6-Tetradeoxy-4-((Methoxycarbonyl)Amino)-3-C-Methyl-3-Nitro-Beta-D-Xylo-Hexopyranosyl)-
• Molecular Formula: C₄₉H₆₆N₂O₁₇
• Molecular Weight: 955.06
• CAS Registry Number: 83259-66-9
• SMILES: [C@H]13[C@]5([C@@H](C=C[C@@H]1[C@@H](O[C@@H]2O[C@H]([C@H](O)[C@H](OC(=O)C)C2)C)[C@H](C[C@@H]3C)C)C(C)\C=C\[C@H](O[C@@H]4O[C@@H]([C@H](NC(OC)=O)[C@@]([N+]([O-])=O)(C4)C)C)/C(=C/[C@H]7C6(OC(=C(C5=O)C6=O)O)CC(=C[C@@H]7O)C=O)C)C
• InChI: 1S/C49H66N2O17/c1-22-11-14-34(66-37-20-47(8,51(60)61)42(27(6)64-37)50-46(59)62-10)23(2)16-32-33(54)17-29(21-52)19-49(32)44(57)38(45(58)68-49)43(56)48(9)31(22)13-12-30-39(48)24(3)15-25(4)41(30)67-36-18-35(65-28(7)53)40(55)26(5)63-36/h11-14,16-17,21-22,24-27,30-37,39-42,54-55,58H,15,18-20H2,1-10H3,(H,50,59)/b14-11+,23-16+/t22?,24-,25-,26-,27+,30-,31-,32+,33-,34-,35+,36-,37-,39+,40-,41-,42-,47-,48+,49?/m0/s1
• InChIKey: ATDXNACKMJLAKQ-FPFVKSPQSA-N