Methyl 33-{[3,6-dideoxy-3-(lysylamino)hexopyranosyl]oxy}-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylate
[CAS# 76023-48-8]

Identification

• Name: Methyl 33-{[3,6-dideoxy-3-(lysylamino)hexopyranosyl]oxy}-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylate
• Molecular Formula: C₅₄H₈₇N₃O₁₈
• Molecular Weight: 1066.28
• CAS Registry Number: 76023-48-8
• SMILES: O=C(NC1C(O)C(OC(C)C1O)OC3/C=C/C=C\C=C/C=C\C=C/C=C\C=C/C(C)C(O)C(C)C(OC(=O)CC(O)CC(O)CCC(O)C(O)CC(O)CC2(O)OC(C(C(=O)OC)C(O)C2)C3)C)C(N)CCCCN
• InChI: 1S/C54H87N3O18/c1-32-20-16-14-12-10-8-6-7-9-11-13-15-17-21-39(74-53-50(67)47(49(66)35(4)73-53)57-51(68)40(56)22-18-19-25-55)29-44-46(52(69)71-5)43(63)31-54(70,75-44)30-38(60)27-42(62)41(61)24-23-36(58)26-37(59)28-45(64)72-34(3)33(2)48(32)65/h6-17,20-21,32-44,46-50,53,58-63,65-67,70H,18-19,22-31,55-56H2,1-5H3,(H,57,68)/b7-6+,10-8+,11-9-,14-12+,15-13+,20-16+,21-17+
• InChIKey: UNNPLYIBPSUWJJ-BDBUAHQSSA-N

Properties

• Density: 1.304g/cm³ (Cal.)
• Boiling point: 1223.468°C at 760 mmHg (Cal.)
• Flash point: 693.729°C (Cal.)