Neoantimycin
[CAS 22862-63-1]

Identification

• Name: Neoantimycin
• Synonyms: 3-Formamido-2-Hydroxy-N-[(3S,14S,15S)-14-Hydroxy-3-Isopropyl-7,13,13-Trimethyl-2,5,9,12-Tetraoxo-15-(Phenylmethyl)-10-Sec-Butyl-1,4,8,11-Tetraoxacyclopentadec-6-Yl]Benzamide; N-[(3S,14S,15S)-15-(Benzyl)-14-Hydroxy-3-Isopropyl-2,5,9,12-Tetraketo-7,13,13-Trimethyl-10-Sec-Butyl-1,4,8,11-Tetraoxacyclopentadec-6-Yl]-3-Formamido-2-Hydroxy-Benzamide; N-[(3S,14S,15S)-10-[(2S)-Butan-2-Yl]-14-Hydroxy-7,13,13-Trimethyl-2,5,9,12-Tetraoxo-15-(Phenylmethyl)-3-Propan-2-Yl-1,4,8,11-Tetraoxacyclopentadec-6-Yl]-3-Formamido-2-Hydroxy-Benzamide
• Molecular Formula: C₃₆H₄₆N₂O₁₂
• Molecular Weight: 698.77
• CAS Registry Number: 22862-63-1
• SMILES: [C@H]2(O)C(C(OC(C(OC(C(NC(=O)C1=CC=CC(=C1O)NC=O)C(O[C@H](C(O[C@H]2CC3=CC=CC=C3)=O)C(C)C)=O)C)=O)[C@H](CC)C)=O)(C)C
• InChI: 1S/C36H46N2O12/c1-8-20(4)29-34(45)47-21(5)26(38-31(42)23-15-12-16-24(27(23)40)37-18-39)32(43)49-28(19(2)3)33(44)48-25(17-22-13-10-9-11-14-22)30(41)36(6,7)35(46)50-29/h9-16,18-21,25-26,28-30,40-41H,8,17H2,1-7H3,(H,37,39)(H,38,42)/t20-,21?,25-,26?,28-,29?,30+/m0/s1
• InChIKey: JIJATTFJYJZEBT-VFVHXOKRSA-N

Properties

• Density: 1.297g/cm³ (Cal.)
• Boiling point: 930.347°C at 760 mmHg (Cal.)
• Flash point: 516.456°C (Cal.)

References

• (1): CAGLIOTI L, MISITI D, MONDELLI R, SELVA A, ARCAMONE F, CASSINELLI G. The structure of neoantimycin, Tetrahedron, 1969