[(8S,11S,13S,14S)-3,9-Dihydroxy-13-Methyl-17-Oxo-6,7,8,11,12,14,15,16-Octahydrocyclopenta[a]Phenanthren-11-Yl] Nitrate
[CAS# 105801-89-6]

Identification

• Name: [(8S,11S,13S,14S)-3,9-Dihydroxy-13-Methyl-17-Oxo-6,7,8,11,12,14,15,16-Octahydrocyclopenta[a]Phenanthren-11-Yl] Nitrate
• Synonyms: Nitric Acid [(8S,11S,13S,14S)-3,9-Dihydroxy-13-Methyl-17-Oxo-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-11-Yl] Ester; Nitric Acid [(8S,11S,13S,14S)-3,9-Dihydroxy-17-Keto-13-Methyl-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-11-Yl] Ester; 3,9-Dihydroxy-11-(Nitrooxy)Estra-1,3,5(10)-Trien-17-One (11Beta)-
• Molecular Formula: C₁₈H₂₁NO₆
• Molecular Weight: 347.37
• CAS Registry Number: 105801-89-6
• SMILES: [C@H]12[C@H]4[C@](C[C@H](O[N+]([O-])=O)C1(O)C3=C(CC2)C=C(O)C=C3)(C(=O)CC4)C
• InChI: 1S/C18H21NO6/c1-17-9-16(25-19(23)24)18(22)12-5-3-11(20)8-10(12)2-4-14(18)13(17)6-7-15(17)21/h3,5,8,13-14,16,20,22H,2,4,6-7,9H2,1H3/t13-,14-,16-,17-,18?/m0/s1
• InChIKey: QKNRTYSNSQAVCD-UCBYDFOTSA-N

Properties

• Density: 1.437g/cm³ (Cal.)
• Boiling point: 549.264°C at 760 mmHg (Cal.)
• Flash point: 285.985°C (Cal.)