Hepavis
[CAS# 77648-60-3]

Identification

• Name: Hepavis
• Synonyms: Hepavis
• Molecular Formula: C₁₀₇H₁₄₅CoMgN₂₁O₃₂P
• Molecular Weight: 2351.66
• CAS Registry Number: 77648-60-3
• SMILES: [Co+3].N1=C7C(C(C1(C2N=C(C(C2CC(=O)N)(CCC(=O)NCC(O[P](OC3C(O)C(OC3CO)[N]5C4=CC(=C(C=C4N=C5)C)C)([O-])=O)C)C)C(=C6N=C(C(C6CCC(=O)N)(C)C)C=C8[N-]C(=C7C)C(C8CCC(=O)N)(CC(=O)N)C)C)C)(CC(=O)N)C)CCC(=O)N.N9C(=CC(=O)NC9=O)C([O-])=O.N%10C(=CC(=O)NC%10=O)C([O-])=O.N%11C(=CC(=O)NC%11=O)C([O-])=O.[N+](CCO)(C)(C)C.N#[C-].[C@H]%13%14[C@H]%12[C@@]([C@H](CC%12)[C@@H](CCC(=O)O)C)(C(=O)C[C@@H]%13[C@@]%15([C@H](CC%14=O)CC(=O)CC%15)C)C.[Mg++]
• InChI: 1S/C62H90N13O14P.C24H34O5.3C5H4N2O4.C5H14NO.CN.Co.Mg/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26;3*8-3-1-2(4(9)10)6-5(11)7-3;1-6(2,3)4-5-7;1-2;;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);13-14,16-18,22H,4-12H2,1-3H3,(H,28,29);3*1H,(H,9,10)(H2,6,7,8,11);7H,4-5H2,1-3H3;;;/q;;;;;+1;-1;+3;+2/p-5/t;13-,14+,16-,17+,18+,22+,23+,24-;;;;;;;/m.1......./s1
• InChIKey: MEODXFMBXRCSKZ-MTYOLOGESA-I