1alpha,4alpha-Epoxy-16beta-Hydroxy-3-Aza-alpha-Homo-5beta-Pregnan-21-Oic Acid gamma-Lactone
[CAS# 6384-73-2]

Identification

• Name: 1alpha,4alpha-Epoxy-16beta-Hydroxy-3-Aza-alpha-Homo-5beta-Pregnan-21-Oic Acid gamma-Lactone
• Synonyms: 4-27-00-06565 (Beilstein Handbook Reference); Brn 0038144; Samandaridin
• Molecular Formula: C₂₁H₃₁NO₃
• Molecular Weight: 345.48
• CAS Registry Number: 6384-73-2
• SMILES: [C@@H]12OC(C[C@@H]1[C@@]3([C@@H](C2)[C@H]4[C@H](CC3)[C@@]5([C@H](CC4)C[C@@H]6NC[C@H]5O6)C)C)=O
• InChI: 1S/C21H31NO3/c1-20-6-5-13-12(14(20)8-16-15(20)9-19(23)24-16)4-3-11-7-18-22-10-17(25-18)21(11,13)2/h11-18,22H,3-10H2,1-2H3/t11-,12-,13+,14+,15+,16+,17-,18-,20+,21+/m1/s1
• InChIKey: GUSZSGSYIVZEDM-ACYPXLHBSA-N

Properties

• Density: 1.154g/cm³ (Cal.)
• Boiling point: 498.929°C at 760 mmHg (Cal.)
• Flash point: 255.543°C (Cal.)