(3b)-17alpha-Hydroxyyohimban-16b-Carboxylic Acid Methyl Ester
[CAS# 84-37-7]

Identification

• Name: (3b)-17alpha-Hydroxyyohimban-16b-Carboxylic Acid Methyl Ester
• Synonyms: Aids012088; Methyl (3Beta,16Alpha)-17-Hydroxyyohimban-16-Carboxylate; .Psi.-Yohimbine
• Molecular Formula: C₂₁H₂₆N₂O₃
• Molecular Weight: 354.45
• CAS Registry Number: 84-37-7
• SMILES: [C@@H]34C2=C(C1=CC=CC=C1[NH]2)CCN3C[C@H]5[C@H](C4)[C@@H](C(=O)OC)[C@H](CC5)O
• InChI: 1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17+,18-,19+/m0/s1
• InChIKey: BLGXFZZNTVWLAY-AECJZGCLSA-N

Properties

• Density: 1.317g/cm³ (Cal.)
• Boiling point: 542.979°C at 760 mmHg (Cal.)
• Flash point: 282.184°C (Cal.)