Tautomycin
[CAS# 109946-35-2]

Identification

• Name: Tautomycin
• Synonyms: [(1R,2R,3R,6S,7S,10R)-10-[(2S,3S,6R,8S,9R)-3,9-Dimethyl-8-[(3S)-3-Methyl-4-Oxo-Pentyl]-1,7-Dioxaspiro[5.5]Undecan-2-Yl]-3,7-Dihydroxy-1-Isopropyl-2-Methoxy-6-Methyl-5-Oxo-Undecyl] (3R)-3-Hydroxy-3-(4-Methyl-2,5-Dioxo-3-Furyl)Propanoate; (3R)-3-Hydroxy-3-(4-Methyl-2,5-Dioxo-3-Furyl)Propanoic Acid [(1R,2R,3R,6S,7S,10R)-10-[(2S,3S,6R,8S,9R)-3,9-Dimethyl-8-[(3S)-3-Methyl-4-Oxopentyl]-1,7-Dioxaspiro[5.5]Undecan-2-Yl]-3,7-Dihydroxy-1-Isopropyl-2-Methoxy-6-Methyl-5-Oxoundecyl] Ester; (3R)-3-(2,5-Diketo-4-Methyl-3-Furyl)-3-Hydroxy-Propionic Acid [(1R,2R,3R,6S,7S,10R)-3,7-Dihydroxy-1-Isopropyl-5-Keto-10-[(2S,3S,6R,8S,9R)-8-[(3S)-4-Keto-3-Methyl-Pentyl]-3,9-Dimethyl-1,7-Dioxaspiro[5.5]Undecan-2-Yl]-2-Methoxy-6-Methyl-Undecyl] Ester
• Molecular Formula: C₄₁H₆₆O₁₃
• Molecular Weight: 766.96
• CAS Registry Number: 109946-35-2
• SMILES: [C@@]13(O[C@H]([C@@H](C)CC1)[C@@H](CC[C@@H]([C@@H](C(C[C@H]([C@H]([C@H](OC(C[C@H](C2=C(C(=O)OC2=O)C)O)=O)C(C)C)OC)O)=O)C)O)C)O[C@H]([C@H](C)CC3)CC[C@@H](C(C)=O)C
• InChI: 1S/C41H66O13/c1-21(2)36(51-34(47)20-31(45)35-27(8)39(48)52-40(35)49)38(50-10)32(46)19-30(44)26(7)29(43)13-11-24(5)37-25(6)16-18-41(54-37)17-15-23(4)33(53-41)14-12-22(3)28(9)42/h21-26,29,31-33,36-38,43,45-46H,11-20H2,1-10H3/t22-,23+,24+,25-,26-,29-,31+,32+,33-,36+,37-,38+,41+/m0/s1
• InChIKey: RFCWHQNNCOJYTR-IRCAEPKSSA-N

Properties

• Density: 1.187g/cm³ (Cal.)
• Boiling point: 854.275°C at 760 mmHg (Cal.)
• Flash point: 247.518°C (Cal.)