4'-Deoxyvinblastine
[CAS# 20072-25-7]

Identification

• Name: 4'-Deoxyvinblastine
• Molecular Formula: C₄₆H₅₈N₄O₈
• Molecular Weight: 794.99
• CAS Registry Number: 20072-25-7
• SMILES: [C@@]129[C@@H]8[C@]([C@@H](OC(C)=O)[C@@]([C@@H]1N(C)C7=C2C=C([C@@]5(C3=C(C4=C([NH]3)C=CC=C4)CCN6C[C@H](C5)C[C@@H](CC)C6)C(OC)=O)C(=C7)OC)(C(OC)=O)O)(C=CCN8CC9)CC
• InChI: 1S/C46H58N4O8/c1-8-28-21-29-24-45(41(52)56-6,37-31(15-19-49(25-28)26-29)30-13-10-11-14-34(30)47-37)33-22-32-35(23-36(33)55-5)48(4)39-44(32)17-20-50-18-12-16-43(9-2,38(44)50)40(58-27(3)51)46(39,54)42(53)57-7/h10-14,16,22-23,28-29,38-40,47,54H,8-9,15,17-21,24-26H2,1-7H3/t28-,29+,38+,39-,40-,43-,44-,45+,46+/m1/s1
• InChIKey: AGKYIOIIEPFTEV-XAYRGYGFSA-N

Properties

• Density: 1.34g/cm³ (Cal.)