Vinleurosine

• Catalog Number: ACM23360921
• Product Name: Vinleurosine
• CAS: 23360-92-1
• Category: Heterocyclic Organic Compound
• Synonyms: LEUROSINE;4'-deoxy-3',4'-epoxy-,(3'-alpha,4'-alpha)-vincaleukoblastin;4'-deoxy-3',4'-epoxy-,(3'alpha,4'alpha)-vincaleukoblastin;amotin;nsc-528004;Vinleurosine;4b-Acetoxy-3,4epoxy-3-hydroxy-16-methoxy-(4 H)-vincaleukoblast-6-ene-23,22dioic Acid Dimethyl E
• Molecular Weight: 809
• Molecular Formula: C₄₆H₅₆N₄O₉
• InChI: InChI=1S/C46H56N4O9/c1-8-42-16-12-18-50-20-17-44(37(42)50)30-21-31(34(55-5)22-33(30)48(4)38(44)46(54,41(53)57-7)39(42)58-26(3)51)45(40(52)56-6)23-27-24-49(25-43(9-2)36(27)59-43)19-15-29-28-13-10-11-14-32(28)47-35(29)45/h10-14,16,21-22,27,36-39,47,54H,8-9,15,17-20,23-25H2,1-7H3/t27-,36+,37-,38+,39+,42+,43-,44+,45-,46-/m0/s1
• InChI Key: LPGWZGMPDKDHEP-NVDFJPPOSA-N
• Melting Point: 202-205 ºC
• Density: 1.39 g/cm³
• Complexity: 1750
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 10
• Exact Mass: 808.40472938
• Heavy Atom Count: 59
• Hydrogen Bond Acceptor Count: 12
• Hydrogen Bond Donor Count: 2
• Isomeric SMILES: CC[C@]12CN3CCC4=C([C@](C[C@@H](C3)[C@H]1O2)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)NC1=CC=CC=C41
• Monoisotopic Mass: 808.40472938
• Physical State: Powder
• Rotatable Bond Count: 10
• Topological Polar Surface Area: 146 Ų