4',5'-Didehydro-4'-Deoxy-2',19'-Dioxo-2',19'-Secovincaleukoblastine
[CAS# 1355-31-3]

Identification

• Name: 4',5'-Didehydro-4'-Deoxy-2',19'-Dioxo-2',19'-Secovincaleukoblastine
• Molecular Formula: C₄₆H₅₄N₄O₁₀
• Molecular Weight: 822.95
• CAS Registry Number: 1355-31-3
• SMILES: [C@@]134[C@H]2N(CC1)CC=C[C@]2([C@@H](OC(=O)C)[C@@](O)([C@@H]3N(C5=CC(=C(C=C45)[C@]6(CC(=O)CC(=C\N(CCC7=C6[NH]C8=CC=CC=C78)C=O)/CC)C(OC)=O)OC)C)C(OC)=O)CC
• InChI: 1S/C46H54N4O10/c1-8-28-21-29(53)24-45(41(54)58-6,37-31(15-19-49(25-28)26-51)30-13-10-11-14-34(30)47-37)33-22-32-35(23-36(33)57-5)48(4)39-44(32)17-20-50-18-12-16-43(9-2,38(44)50)40(60-27(3)52)46(39,56)42(55)59-7/h10-14,16,22-23,25-26,38-40,47,56H,8-9,15,17-21,24H2,1-7H3/b28-25-/t38-,39+,40+,43+,44+,45-,46-/m0/s1
• InChIKey: KLFYPJRLOIHTCM-CIJHUGPSSA-N

Properties

• Density: 1.378g/cm³ (Cal.)
• Boiling point: 912.839°C at 760 mmHg (Cal.)
• Flash point: 505.867°C (Cal.)