Formyl-Leurosine
[CAS# 54022-49-0]

Identification

• Name: Formyl-Leurosine
• Synonyms: Formylleurosine; Nsc269419; Vincaleukoblastine, 4'-Deoxy-3',4'-Epoxy-22-Oxo-, (3'.Alpha.,4'.Alpha.)-
• Molecular Formula: C₄₆H₅₄N₄O₁₀
• Molecular Weight: 822.95
• CAS Registry Number: 54022-49-0
• SMILES: [C@@]12%10[C@@H]9[C@]([C@@H](OC(C)=O)[C@@]([C@@H]1N(C=O)C8=C2C=C([C@@]5(C3=C(C4=C([NH]3)C=CC=C4)CCN6C[C@@H](C5)[C@@H]7[C@@](C6)(CC)O7)C(OC)=O)C(=C8)OC)(C(OC)=O)O)(C=CCN9CC%10)CC
• InChI: 1S/C46H54N4O10/c1-7-42-15-11-17-49-19-16-44(37(42)49)30-20-31(34(56-4)21-33(30)50(25-51)38(44)46(55,41(54)58-6)39(42)59-26(3)52)45(40(53)57-5)22-27-23-48(24-43(8-2)36(27)60-43)18-14-29-28-12-9-10-13-32(28)47-35(29)45/h9-13,15,20-21,25,27,36-39,47,55H,7-8,14,16-19,22-24H2,1-6H3/t27-,36-,37+,38-,39-,42-,43+,44-,45+,46+/m1/s1
• InChIKey: GLDSBTCHEGZWCV-HLTPFJCJSA-N

Properties

• Density: 1.425g/cm³ (Cal.)