(3beta,20alpha)-11,17alpha-Dimethoxy-18beta-[(3,5-Dimethoxy-4-Isopropylbenzoyl)Oxy]Yohimban-16beta-Carboxylic Acid Methyl Ester
[CAS# 55729-39-0]

Identification

• Name: (3beta,20alpha)-11,17alpha-Dimethoxy-18beta-[(3,5-Dimethoxy-4-Isopropylbenzoyl)Oxy]Yohimban-16beta-Carboxylic Acid Methyl Ester
• Synonyms: L-11318; Yohimban-16-Carboxylic Acid, 11,17-Dimethoxy-18-((3,5-Dimethoxy-4-(1-Methylethyl)Benzoyl)Oxy)-, Methyl Ester, (3-Beta,16-Beta,17-Alpha,18-Beta,20-Alpha)-
• Molecular Formula: C₃₅H₄₄N₂O₈
• Molecular Weight: 620.74
• CAS Registry Number: 55729-39-0
• SMILES: [C@@H]13C5=C(CCN1C[C@H]2C[C@H]([C@@H]([C@H]([C@H]2C3)C(=O)OC)OC)OC(C4=CC(=C(C(=C4)OC)C(C)C)OC)=O)C6=C([NH]5)C=C(C=C6)OC
• InChI: 1S/C35H44N2O8/c1-18(2)30-27(41-4)12-19(13-28(30)42-5)34(38)45-29-14-20-17-37-11-10-23-22-9-8-21(40-3)15-25(22)36-32(23)26(37)16-24(20)31(33(29)43-6)35(39)44-7/h8-9,12-13,15,18,20,24,26,29,31,33,36H,10-11,14,16-17H2,1-7H3/t20-,24+,26-,29-,31+,33+/m1/s1
• InChIKey: SZOPDUMLCPULQV-KWDRYEBNSA-N

Properties

• Density: 1.28g/cm³ (Cal.)
• Boiling point: 752.949°C at 760 mmHg (Cal.)
• Flash point: 409.169°C (Cal.)