(8S,9S,13S,14S)-3-(2-Hydroxyethoxy)-13-Methyl-4-Nitro-7,8,9,11,12,14,1 5,16-Octahydro-6H-Cyclopenta[a]Phenanthren-17-One
[CAS# 80082-66-2]

Identification

• Name: (8S,9S,13S,14S)-3-(2-Hydroxyethoxy)-13-Methyl-4-Nitro-7,8,9,11,12,14,1 5,16-Octahydro-6H-Cyclopenta[a]Phenanthren-17-One
• Synonyms: Nsc361046
• Molecular Formula: C₂₀H₂₅NO₅
• Molecular Weight: 359.42
• CAS Registry Number: 80082-66-2
• SMILES: [C@H]23CC[C@]1(C)C(CC[C@H]1[C@@H]2CCC4=C3C=CC(=C4[N+]([O-])=O)OCCO)=O
• InChI: 1S/C20H25NO5/c1-20-9-8-13-12-4-6-17(26-11-10-22)19(21(24)25)15(12)3-2-14(13)16(20)5-7-18(20)23/h4,6,13-14,16,22H,2-3,5,7-11H2,1H3/t13-,14-,16+,20+/m1/s1
• InChIKey: LHXXLCRYWVMSTM-NKSTXHLWSA-N

Properties

• Density: 1.267g/cm³ (Cal.)
• Boiling point: 550.495°C at 760 mmHg (Cal.)
• Flash point: 286.729°C (Cal.)