3-Formyl-25-Desacetyl Rifamycin
[CAS# 16783-97-4]

Identification

• Name: 3-Formyl-25-Desacetyl Rifamycin
• Synonyms: 3-Formyl-25-Desacetylrifamycin; Nsc 145635; 25-Deacetyl 3-Formylrifamycin Sv
• Molecular Formula: C₃₆H₄₅NO₁₂
• Molecular Weight: 683.75
• CAS Registry Number: 16783-97-4
• SMILES: [C@]14(OC3=C(C2=C(O)C(=C(NC(=O)C(=C\C=C\[C@@H]([C@H](O)[C@H]([C@@H](O)[C@H]([C@H](O)[C@@H]([C@@H](OC)/C=C/O1)C)C)C)C)/C)C(=C2C(=C3C)O)O)C=O)C4=O)C
• InChI: 1S/C36H45NO12/c1-15-10-9-11-16(2)35(46)37-26-21(14-38)31(43)23-24(32(26)44)30(42)20(6)33-25(23)34(45)36(7,49-33)48-13-12-22(47-8)17(3)28(40)19(5)29(41)18(4)27(15)39/h9-15,17-19,22,27-29,39-44H,1-8H3,(H,37,46)/b10-9+,13-12+,16-11-/t15-,17+,18+,19-,22-,27-,28+,29+,36-/m0/s1
• InChIKey: GGZYOFVKHSKDIP-WSMWQBPRSA-N

Properties

• Density: 1.398g/cm³ (Cal.)
• Boiling point: 861.633°C at 760 mmHg (Cal.)
• Flash point: 474.898°C (Cal.)