aplasmomycin
[CAS# 61230-25-9]

Identification

• Name: aplasmomycin
• Synonyms: aplasmomycin; ICI 122,378; ICI 122378
• Molecular Formula: C₄₀H₆₀BNaO₁₄
• Molecular Weight: 798.70
• CAS Registry Number: 61230-25-9
• SMILES: [Na+].O=C7O[C@H]1C[C@H](O[C@@H]1C)/C=C/C[C@@H](O)C(C)(C)[C@H]8OC3(O[B-]62OC5(O[C@H](C(C)(C)[C@H](O)C/C=C/C4O[C@H](C)C(OC(=O)C3O2)C4)CC[C@H]5C)C7O6)[C@H](C)CC8
• InChI: 1S/C40H60BO14.Na/c1-21-15-17-31-37(5,6)29(42)13-9-11-26-20-28(24(4)47-26)49-36(45)34-40-22(2)16-18-32(51-40)38(7,8)30(43)14-10-12-25-19-27(23(3)46-25)48-35(44)33-39(21,50-31)54-41(52-33,53-34)55-40;/h9-12,21-34,42-43H,13-20H2,1-8H3;/q-1;+1/b11-9+,12-10+;/t21-,22-,23-,24-,25-,26?,27+,28?,29-,30-,31+,32+,33?,34?,39?,40?,41?;/m1./s1
• InChIKey: GEIYDRPAWIMINR-QLICSODISA-N