[(8S,11S,13S,14S)-9-Hydroxy-13-Methyl-11-Nitrooxy-17-Oxo-6,7,8,11,12,14,15,16-Octahydrocyclopenta[a]Phenanthren-3-Yl] Acetate
[CAS# 33767-88-3]

Identification

• Name: [(8S,11S,13S,14S)-9-Hydroxy-13-Methyl-11-Nitrooxy-17-Oxo-6,7,8,11,12,14,15,16-Octahydrocyclopenta[a]Phenanthren-3-Yl] Acetate
• Synonyms: Acetic Acid [(8S,11S,13S,14S)-9-Hydroxy-13-Methyl-11-Nitrooxy-17-Oxo-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-3-Yl] Ester; Acetic Acid [(8S,11S,13S,14S)-9-Hydroxy-17-Keto-13-Methyl-11-Nitrooxy-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-3-Yl] Ester; [(8S,11S,13S,14S)-9-Hydroxy-13-Methyl-11-Nitrooxy-17-Oxo-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-3-Yl] Ethanoate
• Molecular Formula: C₂₀H₂₃NO₇
• Molecular Weight: 389.40
• CAS Registry Number: 33767-88-3
• SMILES: [C@H]12[C@H]4[C@](C[C@H](O[N+]([O-])=O)C1(O)C3=C(CC2)C=C(OC(=O)C)C=C3)(C(=O)CC4)C
• InChI: 1S/C20H23NO7/c1-11(22)27-13-4-6-14-12(9-13)3-5-16-15-7-8-17(23)19(15,2)10-18(20(14,16)24)28-21(25)26/h4,6,9,15-16,18,24H,3,5,7-8,10H2,1-2H3/t15-,16-,18-,19-,20?/m0/s1
• InChIKey: PIFWUSBKSLUDOU-DIUKVQJFSA-N

Properties

• Density: 1.392g/cm³ (Cal.)
• Boiling point: 550.812°C at 760 mmHg (Cal.)
• Flash point: 286.921°C (Cal.)