(3beta,16beta,17alpha,18beta)-19,20-Didehydro-17-Methoxy-18-((3,4,5-Trimethoxybenzoyl)Oxy)-Yohimban-16-Carboxylic Acid Methyl Ester
[CAS# 2671-59-2]

Identification

• Name: (3beta,16beta,17alpha,18beta)-19,20-Didehydro-17-Methoxy-18-((3,4,5-Trimethoxybenzoyl)Oxy)-Yohimban-16-Carboxylic Acid Methyl Ester
• Synonyms: Aids003037; Aids-003037; Yohimban-16-Carboxylic Acid, 19,20-Didehydro-17-Methoxy-18-[(3,4,5-Trimethoxybenzoyl)Oxy]-, Methyl Ester, (3.Beta.,16.Beta.,17.Alpha.,18.Beta.)-
• Molecular Formula: C₃₂H₃₆N₂O₈
• Molecular Weight: 576.65
• CAS Registry Number: 2671-59-2
• SMILES: [C@@H]34N(CC2=C[C@@H](OC(=O)C1=CC(=C(OC)C(=C1)OC)OC)[C@H](OC)[C@H]([C@H]2C3)C(OC)=O)CCC5=C4[NH]C6=C5C=CC=C6
• InChI: 1S/C32H36N2O8/c1-37-24-12-17(13-25(38-2)29(24)39-3)31(35)42-26-14-18-16-34-11-10-20-19-8-6-7-9-22(19)33-28(20)23(34)15-21(18)27(30(26)40-4)32(36)41-5/h6-9,12-14,21,23,26-27,30,33H,10-11,15-16H2,1-5H3/t21-,23+,26+,27-,30-/m0/s1
• InChIKey: RDGOSTXDEPKFIL-NPWMLVFOSA-N

Properties

• Density: 1.343g/cm³ (Cal.)
• Boiling point: 689.102°C at 760 mmHg (Cal.)
• Flash point: 370.555°C (Cal.)