(23E,25E,27E,29E,31E,33E,35E)-22-[(3S,4S,5S,6R)-5-Amino-3,4-Dihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-4,6,8,10,12,18,20-Heptahydroxy-38-[4-Hydroxy-1-Methyl-6-(4-Methylaminophenyl)-6-Oxo-Hexyl]-19,37-Dimethyl-1-Oxacyclooctatriaconta-23,25,27,29,31,33,35-Heptaene-2,14,16-Trione
[CAS# 62327-61-1]

Identification

• Name: (23E,25E,27E,29E,31E,33E,35E)-22-[(3S,4S,5S,6R)-5-Amino-3,4-Dihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-4,6,8,10,12,18,20-Heptahydroxy-38-[4-Hydroxy-1-Methyl-6-(4-Methylaminophenyl)-6-Oxo-Hexyl]-19,37-Dimethyl-1-Oxacyclooctatriaconta-23,25,27,29,31,33,35-Heptaene-2,14,16-Trione
• Molecular Formula: C₅₉H₈₈N₂O₁₇
• Molecular Weight: 1097.33
• CAS Registry Number: 62327-61-1
• SMILES: CNc1ccc(cc1)C(=O)CC(O)CCC(C)C3OC(=O)CC(O)CC(O)CC(O)CC(O)CC(O)CC(=O)CC(=O)CC(O)C(C)C(O)CC(OC2O[C@H](C)[C@@H](N)[C@H](O)[C@@H]2O)/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C3C
• InChI: 1S/C59H88N2O17/c1-36-18-16-14-12-10-8-6-7-9-11-13-15-17-19-50(77-59-57(75)56(74)55(60)39(4)76-59)35-52(71)38(3)51(70)33-48(68)30-46(66)28-44(64)26-43(63)27-45(65)29-47(67)31-49(69)34-54(73)78-58(36)37(2)20-25-42(62)32-53(72)40-21-23-41(61-5)24-22-40/h6-19,21-24,36-39,42-45,47,49-52,55-59,61-65,67,69-71,74-75H,20,25-35,60H2,1-5H3/b7-6+,10-8+,11-9+,14-12+,15-13+,18-16+,19-17+/t36?,37?,38?,39-,42?,43?,44?,45?,47?,49?,50?,51?,52?,55-,56+,57+,58?,59?/m1/s1
• InChIKey: GSWYPRIXRMTTKI-HIWSXIMWSA-N

Properties

• Density: 1.279g/cm³ (Cal.)
• Boiling point: 1243.144°C at 760 mmHg (Cal.)
• Flash point: 705.628°C (Cal.)