Vinleucinol
[CAS# 81571-28-0]

Identification

• Name: Vinleucinol
• Synonyms: V-L-Ile-Oet; (23(1S,2S))-4-Deacetyl-3-((1-Carboxy-2-Methylbutyl)Carbamoyl)-3-De(Methoxycarbonyl)Vincaleukoblastine, Ethyl Ester; Ethyl N-(O-4-Deacetylvinblasin-23-Oyl)-L-Isoleucinate
• Molecular Formula: C₅₁H₆₉N₅O₉
• Molecular Weight: 896.13
• CAS Registry Number: 81571-28-0
• SMILES: [C@@]178[C@@H](N(C2=C1C=C(C(=C2)OC)[C@@]5(C3=C(C4=C([NH]3)C=CC=C4)CCN6C[C@@H](C5)C[C@](O)(C6)CC)C(OC)=O)C)[C@](O)([C@H](O)[C@]9([C@@H]7N(CC8)CC=C9)CC)C(=O)N[C@H](C(OCC)=O)[C@H](CC)C
• InChI: 1S/C51H69N5O9/c1-9-30(5)39(41(57)65-12-4)53-45(59)51(62)43-49(20-23-56-21-15-19-48(11-3,42(49)56)44(51)58)34-24-35(38(63-7)25-37(34)54(43)6)50(46(60)64-8)27-31-26-47(61,10-2)29-55(28-31)22-18-33-32-16-13-14-17-36(32)52-40(33)50/h13-17,19,24-25,30-31,39,42-44,52,58,61-62H,9-12,18,20-23,26-29H2,1-8H3,(H,53,59)/t30-,31+,39-,42-,43+,44+,47-,48+,49+,50-,51-/m0/s1
• InChIKey: QSTPFUDHVVIGCL-IPMACKNYSA-N

Properties

• Density: 1.338g/cm³ (Cal.)