Mycalolide-B
[CAS# 122752-21-0]

Identification

• Name: Mycalolide-B
• Synonyms: Mycalolide B; Mycalolide-B
• Molecular Formula: C₅₂H₇₄N₄O₁₇
• Molecular Weight: 1027.17
• CAS Registry Number: 122752-21-0
• SMILES: [C@H]4(OC(=O)C[C@@H](O)C/C=C/C(=O)[C@@H]([C@H](OC)C1=COC(=N1)C2=COC(=N2)C3=COC(=N3)\C=C/C[C@H](OC)[C@H]4C)C)C[C@H](OC)[C@H](CC[C@@H](OC(=O)[C@H](OC)COC)[C@@H]([C@H](OC(=O)C)[C@@H](\C=C\N(C=O)C)C)C)C
• InChI: 1S/C52H74N4O17/c1-30(19-20-42(73-52(62)45(66-11)28-63-8)34(5)48(71-35(6)58)31(2)21-22-56(7)29-57)43(65-10)24-44-33(4)41(64-9)17-14-18-46-53-38(26-68-46)50-55-39(27-70-50)51-54-37(25-69-51)49(67-12)32(3)40(60)16-13-15-36(59)23-47(61)72-44/h13-14,16,18,21-22,25-27,29-34,36,41-45,48-49,59H,15,17,19-20,23-24,28H2,1-12H3/b16-13+,18-14-,22-21+/t30-,31+,32-,33+,34-,36-,41-,42+,43-,44-,45+,48+,49-/m0/s1
• InChIKey: ZYDMLFOHENLMIN-RKRPCCGKSA-N