(12E)-16-Ethyl-6,8,9-trihydroxy-12-(methoxymethyl)-25,27-dimethyl-2-propyl-1-oxa-4-azacyclooctacosa-12,14-diene-3,20,28-trione
[CAS# 60616-99-1]

Identification

• Name: (12E)-16-Ethyl-6,8,9-trihydroxy-12-(methoxymethyl)-25,27-dimethyl-2-propyl-1-oxa-4-azacyclooctacosa-12,14-diene-3,20,28-trione
• Synonyms: Antibiotic TA; Myxococcus xanthus antibiotic TA
• Molecular Formula: C₃₅H₆₁NO₈
• Molecular Weight: 623.86
• CAS Registry Number: 60616-99-1
• SMILES: O=C1NCC(O)CC(O)C(O)CCC(=C/C=CC(CC)CCCC(=O)CCCCC(CC(C(=O)OC1CCC)C)C)\COC
• InChI: 1S/C35H61NO8/c1-6-12-33-34(41)36-23-30(38)22-32(40)31(39)20-19-28(24-43-5)16-10-14-27(7-2)15-11-18-29(37)17-9-8-13-25(3)21-26(4)35(42)44-33/h10,14,16,25-27,30-33,38-40H,6-9,11-13,15,17-24H2,1-5H3,(H,36,41)/b14-10?,28-16+
• InChIKey: VQWNGCSUNKJFLW-AULPGBDISA-N

Properties

• Density: 0.999g/cm³ (Cal.)
• Boiling point: 796.336°C at 760 mmHg (Cal.)
• Flash point: 435.409°C (Cal.)