Kijanimicin
[CAS# 78798-08-0]

Identification

• Name: Kijanimicin
• Synonyms: From Actinomadura Kijaniata; Kijanimicin; Kijanmycin
• Molecular Formula: C₆₇H₁₀₀N₂O₂₄
• Molecular Weight: 1317.51
• CAS Registry Number: 78798-08-0
• SMILES: [O-][N+](=O)[C@@]1(C)C[C@@H](O[C@H](C)[C@@H]1NC(=O)OC)O[C@@H]2C(=C/[C@@H]%10/C=C(/CO)[C@H](C)CC9%10OC(/O)=C(/C(=O)[C@]8(C)[C@H](C(=C/C2)\C)/C=C\[C@@H]7[C@@H](O[C@@H]6O[C@H]([C@H](O)[C@H](O[C@@H]5O[C@@H](C)[C@H](O[C@H]3O[C@@H](C)[C@H](OC)[C@H](O)C3)[C@H](O[C@@H]4O[C@@H](C)[C@H](O)[C@H](O)C4)C5)C6)C)[C@@H](C)C[C@H](C)[C@H]78)C9=O)/C
• InChI: 1S/C67H100N2O24/c1-29-15-18-45(88-52-27-65(11,69(79)80)60(38(10)87-52)68-64(78)82-14)30(2)20-40-21-39(28-70)33(5)26-67(40)62(76)53(63(77)93-67)61(75)66(12)42(29)17-16-41-54(66)31(3)19-32(4)57(41)91-51-24-46(56(74)35(7)84-51)89-50-25-47(90-48-22-43(71)55(73)34(6)83-48)59(37(9)86-50)92-49-23-44(72)58(81-13)36(8)85-49/h15-17,20-21,31-38,40-52,54-60,70-74,77H,18-19,22-28H2,1-14H3,(H,68,78)/b29-15-,30-20+/t31-,32-,33+,34-,35-,36-,37-,38+,40+,41-,42-,43+,44+,45-,46+,47+,48-,49+,50-,51-,52-,54+,55-,56-,57-,58-,59-,60-,65-,66+,67?/m0/s1
• InChIKey: HWLALZIEGGFXKV-DLIYIRNRSA-N

Properties

• Density: 1.353g/cm³ (Cal.)