Roseotoxin
[CAS# 55466-29-0]

Identification

• Name: Roseotoxin
• Synonyms: (2S,3S)-N-[(1S,2S)-1-[[(1R)-1-[1,1-Dimethyl-4-[[(2S)-2-Methylaminopropanoyl]Amino]-2-Oxo-Butyl]-1-Formyl-3-Hydroxy-2-Oxo-Hex-5-Enyl]-Methyl-Carbamoyl]-2-Methyl-But-3-Enyl]-3-Methyl-Pyrrolidine-2-Carboxamide; (2S,3S)-N-[(1S,2S)-1-[[[(1R)-1-[1,1-Dimethyl-4-[[(2S)-2-Methylamino-1-Oxopropyl]Amino]-2-Oxobutyl]-1-Formyl-3-Hydroxy-2-Oxohex-5-Enyl]-Methylamino]-Oxomethyl]-2-Methylbut-3-Enyl]-3-Methyl-2-Pyrrolidinecarboxamide; (2S,3S)-N-[(1S,2S)-1-[[(1R)-1-Formyl-3-Hydroxy-2-Keto-1-[2-Keto-1,1-Dimethyl-4-[[(2S)-2-Methylaminopropanoyl]Amino]Butyl]Hex-5-Enyl]-Methyl-Carbamoyl]-2-Methyl-But-3-Enyl]-3-Methyl-Pyrrolidine-2-Carboxamide
• Molecular Formula: C₃₀H₄₉N₅O₇
• Molecular Weight: 591.75
• CAS Registry Number: 55466-29-0
• SMILES: [C@](C=O)(N(C)C([C@@H](NC([C@H]1NCC[C@@H]1C)=O)[C@H](C=C)C)=O)(C(C)(C)C(CCNC([C@@H](NC)C)=O)=O)C(C(CC=C)O)=O
• InChI: 1S/C30H49N5O7/c1-10-12-21(37)25(39)30(17-36,29(6,7)22(38)14-16-33-26(40)20(5)31-8)35(9)28(42)24(18(3)11-2)34-27(41)23-19(4)13-15-32-23/h10-11,17-21,23-24,31-32,37H,1-2,12-16H2,3-9H3,(H,33,40)(H,34,41)/t18-,19-,20-,21?,23-,24-,30+/m0/s1
• InChIKey: KECQQADFMBQUDM-IXJIIPDYSA-N

Properties

• Density: 1.128g/cm³ (Cal.)
• Boiling point: 813.491°C at 760 mmHg (Cal.)
• Flash point: 445.783°C (Cal.)