4-O-Deacetylvinblastine-3-Oic Acid
[CAS# 60223-75-8]

Identification

• Name: 4-O-Deacetylvinblastine-3-Oic Acid
• Synonyms: 4-O-Deacetylvinblastine-3-Oic Acid; Vincaleukoblastin-23-Oic Acid, O4-Deacetyl-
• Molecular Formula: C₄₃H₅₄N₄O₈
• Molecular Weight: 754.92
• CAS Registry Number: 60223-75-8
• SMILES: C5=C(C3(C1=C(C2=C([NH]1)C=CC=C2)CCN4CC(C3)CC(O)(C4)CC)C(OC)=O)C(=CC6=C5C78C(N6C)C(O)(C(O)C9(C7N(CC8)CC=C9)CC)C(=O)O)OC
• InChI: 1S/C43H54N4O8/c1-6-39(52)21-25-22-42(38(51)55-5,33-27(13-17-46(23-25)24-39)26-11-8-9-12-30(26)44-33)29-19-28-31(20-32(29)54-4)45(3)35-41(28)15-18-47-16-10-14-40(7-2,34(41)47)36(48)43(35,53)37(49)50/h8-12,14,19-20,25,34-36,44,48,52-53H,6-7,13,15-18,21-24H2,1-5H3,(H,49,50)
• InChIKey: AHSSAUORHFVUTG-UHFFFAOYSA-N

Properties

• Density: 1.43g/cm³ (Cal.)