Methyl 33-{[3,6-dideoxy-3-(ornithylamino)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# 76023-49-9]

Identification

• Name: Methyl 33-{[3,6-dideoxy-3-(ornithylamino)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
• Synonyms: Sch 28191
• Molecular Formula: C₅₃H₈₅N₃O₁₈
• Molecular Weight: 1052.25
• CAS Registry Number: 76023-49-9
• 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)CCCN
• InChI: 1S/C53H85N3O18/c1-31-19-16-14-12-10-8-6-7-9-11-13-15-17-20-38(73-52-49(66)46(48(65)34(4)72-52)56-50(67)39(55)21-18-24-54)28-43-45(51(68)70-5)42(62)30-53(69,74-43)29-37(59)26-41(61)40(60)23-22-35(57)25-36(58)27-44(63)71-33(3)32(2)47(31)64/h6-17,19-20,31-43,45-49,52,57-62,64-66,69H,18,21-30,54-55H2,1-5H3,(H,56,67)/b7-6+,10-8+,11-9-,14-12+,15-13+,19-16+,20-17+
• InChIKey: VZFNAPRHHZYCLT-YEXWKBMJSA-N

Properties

• Density: 1.313g/cm³ (Cal.)
• Boiling point: 1220.564°C at 760 mmHg (Cal.)
• Flash point: 691.972°C (Cal.)