(8S,11R,13S,14S,17S)-11-[4-[(E)-Hydroxyiminomethyl]Phenyl]-17-Methoxy-17-(Methoxymethyl)-13-Methyl-1,2,6,7,8,11,12,14,15,16-Decahydrocyclopenta[a]Phenanthren-3-One
[CAS# 199396-76-4]

Identification

• Name: (8S,11R,13S,14S,17S)-11-[4-[(E)-Hydroxyiminomethyl]Phenyl]-17-Methoxy-17-(Methoxymethyl)-13-Methyl-1,2,6,7,8,11,12,14,15,16-Decahydrocyclopenta[a]Phenanthren-3-One
• Synonyms: 4-[(8S,11R,13S,14S,17S)-17-Methoxy-17-(Methoxymethyl)-13-Methyl-3-Oxo-1,2,6,7,8,11,12,14,15,16-Decahydrocyclopenta[A]Phenanthren-11-Yl]Benzaldehyde Oxime; 4-[(8S,11R,13S,14S,17S)-3-Keto-17-Methoxy-17-(Methoxymethyl)-13-Methyl-1,2,6,7,8,11,12,14,15,16-Decahydrocyclopenta[A]Phenanthren-11-Yl]Benzaldoxime; 11Beta-(4-((E)-(Hydroxyimino)Methyl)Phenyl)-17Beta-Methoxy-17-(Methoxymethyl)Estra-4,9-Dien-3-One
• Molecular Formula: C₂₈H₃₅NO₄
• Molecular Weight: 449.59
• CAS Registry Number: 199396-76-4
• SMILES: [C@@]34(C[C@@H](C2=C1C(=CC(=O)CC1)CC[C@H]2[C@@H]3CC[C@@]4(OC)COC)C5=CC=C(/C=N/O)C=C5)C
• InChI: 1S/C28H35NO4/c1-27-15-24(19-6-4-18(5-7-19)16-29-31)26-22-11-9-21(30)14-20(22)8-10-23(26)25(27)12-13-28(27,33-3)17-32-2/h4-7,14,16,23-25,31H,8-13,15,17H2,1-3H3/b29-16+/t23-,24+,25-,27-,28+/m0/s1
• InChIKey: GJMNAFGEUJBOCE-MEQIQULJSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 602.0±55.0°C at 760 mmHg (Cal.)
• Flash point: 317.9±31.5°C (Cal.)