O4-Deacetyl-3',4'-Didehydro-4'-Deoxy-C'-Norvincaleukoblastine
[CAS# 126347-74-8]

Identification

• Name: O4-Deacetyl-3',4'-Didehydro-4'-Deoxy-C'-Norvincaleukoblastine
• Synonyms: Desacetylnavelbine
• Molecular Formula: C₄₃H₅₂N₄O₇
• Molecular Weight: 736.91
• CAS Registry Number: 126347-74-8
• SMILES: [C@@H]14N(C9=C(C12[C@H]3N(CC2)CC=C[C@]3([C@@H](O)[C@]4(O)C(OC)=O)CC)C=C([C@@]7(C5=C(C6=C([NH]5)C=CC=C6)CN8C[C@H](C7)C=C(C8)CC)C(OC)=O)C(=C9)OC)C
• InChI: 1S/C43H52N4O7/c1-7-25-18-26-21-42(38(49)53-5,34-28(24-46(22-25)23-26)27-12-9-10-13-31(27)44-34)30-19-29-32(20-33(30)52-4)45(3)36-41(29)15-17-47-16-11-14-40(8-2,35(41)47)37(48)43(36,51)39(50)54-6/h9-14,18-20,26,35-37,44,48,51H,7-8,15-17,21-24H2,1-6H3/t26-,35-,36+,37+,40+,41?,42-,43-/m0/s1
• InChIKey: OBAOAFYUDIHEFP-ZTQPSMRSSA-N

Properties

• Density: 1.384g/cm³ (Cal.)