Relomycin
[CAS# 1404-48-4]

Identification

• Name: Relomycin
• Synonyms: (11Z,13E)-6-[5-(4,5-Dihydroxy-4,6-Dimethyl-Tetrahydropyran-2-Yl)Oxy-4-Dimethylamino-3-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-16-Ethyl-4-Hydroxy-15-[(5-Hydroxy-3,4-Dimethoxy-6-Methyl-Tetrahydropyran-2-Yl)Oxymethyl]-7-(2-Hydroxyethyl)-5,9,13-Trimethyl-1-Oxacyclohexadeca-11,13-Diene-2,10-Dione; (11Z,13E)-6-[[5-[(4,5-Dihydroxy-4,6-Dimethyl-2-Tetrahydropyranyl)Oxy]-4-Dimethylamino-3-Hydroxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-16-Ethyl-4-Hydroxy-15-[(5-Hydroxy-3,4-Dimethoxy-6-Methyl-2-Tetrahydropyranyl)Oxymethyl]-7-(2-Hydroxyethyl)-5,9,13-Trimethyl-1-Oxacyclohexadeca-11,13-Diene-2,10-Dione; (11Z,13E)-6-[5-(4,5-Dihydroxy-4,6-Dimethyl-Tetrahydropyran-2-Yl)Oxy-4-Dimethylamino-3-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-16-Ethyl-4-Hydroxy-15-[(5-Hydroxy-3,4-Dimethoxy-6-Methyl-Tetrahydropyran-2-Yl)Oxymethyl]-7-(2-Hydroxyethyl)-5,9,13-Trimethyl-1-Oxacyclohexadeca-11,13-Diene-2,10-Quinone
• Molecular Formula: C₄₆H₇₉NO₁₇
• Molecular Weight: 918.13
• CAS Registry Number: 1404-48-4
• SMILES: C(C4C(OC2OC(C(OC1OC(C(O)C(O)(C1)C)C)C(N(C)C)C2O)C)C(C(O)CC(OC(C(COC3OC(C(O)C(OC)C3OC)C)\C=C(\C=C/C(=O)C(C4)C)C)CC)=O)C)CO
• InChI: 1S/C46H79NO17/c1-13-33-30(22-58-45-42(57-12)41(56-11)37(52)26(5)60-45)18-23(2)14-15-31(49)24(3)19-29(16-17-48)39(25(4)32(50)20-34(51)62-33)64-44-38(53)36(47(9)10)40(27(6)61-44)63-35-21-46(8,55)43(54)28(7)59-35/h14-15,18,24-30,32-33,35-45,48,50,52-55H,13,16-17,19-22H2,1-12H3/b15-14-,23-18+
• InChIKey: QDAVFUSCCPXZTE-XKXXACGVSA-N

Properties

• Density: 1.248g/cm³ (Cal.)
• Boiling point: 983.12°C at 760 mmHg (Cal.)
• Flash point: 548.371°C (Cal.)