(15beta,16Z,20Ξ)-16,17-Didehydro-19-Hydroxy-18,19-Secoyohimban-16-Methanol
[CAS# 5523-47-7]

Identification

• Name: (15beta,16Z,20Ξ)-16,17-Didehydro-19-Hydroxy-18,19-Secoyohimban-16-Methanol
• Molecular Formula: C₂₀H₁₄N₄O₇S₂
• Molecular Weight: 486.47
• CAS Registry Number: 5523-47-7
• SMILES: C1=CC=CC4=C1C(=O)N(C(C)C(=O)NC3=NC=C([S](=O)(=O)C2=CC=C([N+]([O-])=O)C=C2)S3)C4=O
• InChI: 1S/C20H14N4O7S2/c1-11(23-18(26)14-4-2-3-5-15(14)19(23)27)17(25)22-20-21-10-16(32-20)33(30,31)13-8-6-12(7-9-13)24(28)29/h2-11H,1H3,(H,21,22,25)
• InChIKey: SZKSJDNCDIKIIV-UHFFFAOYSA-N

Properties

• Density: 1.629g/cm³ (Cal.)