(8E,14E,16E,18E,20E)-22-[(3-Amino-3,6-Dideoxy-beta-D-Mannopyranosyl)Oxy]-12-Butyl-1,3,26-Trihydroxy-10-Oxo-6,11,28-Trioxatricyclo[22.3.1.0^5,7]Octacosa-8,14,16,18,20-Pentaene-25-Carboxylic Acid
[CAS# 13058-67-8]

Identification

• Name: (8E,14E,16E,18E,20E)-22-[(3-Amino-3,6-Dideoxy-beta-D-Mannopyranosyl)Oxy]-12-Butyl-1,3,26-Trihydroxy-10-Oxo-6,11,28-Trioxatricyclo[22.3.1.0^5,7]Octacosa-8,14,16,18,20-Pentaene-25-Carboxylic Acid
• Synonyms: lucimycin
• Molecular Formula: C₃₆H₅₃NO₁₃
• Molecular Weight: 707.80
• CAS Registry Number: 13058-67-8
• EINECS: 235-950-7
• SMILES: OC(=O)C3C(O)CC2(O)CC(O)CC4OC4/C=C/C(=O)OC(CCCC)C\C=C\C=C\C=C\C=C\C(O[C@@H]1O[C@H](C)[C@@H](O)[C@H](N)[C@@H]1O)CC3O2
• InChI: 1S/C36H53NO13/c1-3-4-12-23-13-10-8-6-5-7-9-11-14-24(48-35-33(42)31(37)32(41)21(2)46-35)18-28-30(34(43)44)25(39)20-36(45,50-28)19-22(38)17-27-26(49-27)15-16-29(40)47-23/h5-11,14-16,21-28,30-33,35,38-39,41-42,45H,3-4,12-13,17-20,37H2,1-2H3,(H,43,44)/b6-5+,9-7+,10-8+,14-11+,16-15+/t21-,22?,23?,24?,25?,26?,27?,28?,30?,31+,32-,33+,35+,36?/m1/s1
• InChIKey: MUAOHYJGHYFDSA-RFUYTIRJSA-N

Properties

• Density: 1.347g/cm³ (Cal.)
• Boiling point: 961.766°C at 760 mmHg (Cal.)
• Flash point: 535.457°C (Cal.)
• Refractive index: 1.607 (Cal.)