Cycloneosamandaridine
[CAS# 63653-59-8]

Identification

• Name: Cycloneosamandaridine
• Synonyms: Ecomytrin; Sodium Amphomycin; 3-Aza-3,6-Cyclo-A-Homopregnan-21-Oic Acid, 6,16-Dihydroxy-, Gamma-Lactone, (3Alpha,5Beta,6Beta,16Beta)-
• Molecular Formula: C₂₁H₃₁NO₃
• Molecular Weight: 345.48
• CAS Registry Number: 63653-59-8
• SMILES: [C@H]12CCN3[C@]1(C[C@@H]4[C@@H]([C@]2(CC3)C)CC[C@@]5([C@@H]6[C@H](C[C@@H]45)OC(C6)=O)C)O
• InChI: 1S/C21H31NO3/c1-19-5-3-13-12(14(19)9-16-15(19)10-18(23)25-16)11-21(24)17-4-7-22(21)8-6-20(13,17)2/h12-17,24H,3-11H2,1-2H3/t12-,13+,14+,15+,16+,17-,19+,20-,21-/m1/s1
• InChIKey: KFGZZMBROBJWRH-KTNYHBKCSA-N

Properties

• Density: 1.267g/cm³ (Cal.)
• Boiling point: 496.819°C at 760 mmHg (Cal.)
• Flash point: 254.267°C (Cal.)