14-(4-Nitrobenzoyloxy)Yohimbine
[CAS# 109460-90-4]

Identification

• Name: 14-(4-Nitrobenzoyloxy)Yohimbine
• Synonyms: 14-Nbo-Yohimbine; 14Beta-(4-Nitrobenzoyloxy)Yohimbine; Yohimban-16-Carboxylic Acid, 17-Hydroxy-14-((4-Nitrobenzoyl)Oxy)-, Methyl Ester, (14Beta,16Alpha,17Alpha)-
• Molecular Formula: C₂₈H₂₉N₃O₇
• Molecular Weight: 519.55
• CAS Registry Number: 109460-90-4
• SMILES: [C@H]23[C@@H](OC(=O)C1=CC=C([N+]([O-])=O)C=C1)[C@@H]4N(C[C@@H]2CC[C@H](O)[C@@H]3C(OC)=O)CCC5=C4[NH]C6=C5C=CC=C6
• InChI: 1S/C28H29N3O7/c1-37-28(34)23-21(32)11-8-16-14-30-13-12-19-18-4-2-3-5-20(18)29-24(19)25(30)26(22(16)23)38-27(33)15-6-9-17(10-7-15)31(35)36/h2-7,9-10,16,21-23,25-26,29,32H,8,11-14H2,1H3/t16-,21-,22-,23-,25+,26+/m0/s1
• InChIKey: ZDOVTMRFXLKGQV-IZUVYGNBSA-N