17a-Hydroxyyohimban-16a-Methanol 16,17-cyclic sulfite ester
[CAS# 439-64-5]

Identification

• Name: 17a-Hydroxyyohimban-16a-Methanol 16,17-cyclic sulfite ester
• Synonyms: Yohimbyl Alcohol Cyclic Sulfite Ester; Brn 0901334
• Molecular Formula: C₂₀H₂₄N₂O₃S
• Molecular Weight: 372.48
• CAS Registry Number: 439-64-5
• SMILES: C1=CC=C2C(=C1)[NH]C3=C2CCN4C3CC5C(C4)CCC6C5CO[S](O6)=O
• InChI: 1S/C20H24N2O3S/c23-26-24-11-16-15-9-18-20-14(13-3-1-2-4-17(13)21-20)7-8-22(18)10-12(15)5-6-19(16)25-26/h1-4,12,15-16,18-19,21H,5-11H2
• InChIKey: LQYRZOSVKDSOFB-UHFFFAOYSA-N

Properties

• Density: 1.455g/cm³ (Cal.)
• Boiling point: 570.342°C at 760 mmHg (Cal.)
• Flash point: 298.733°C (Cal.)