16,17-Dihydro-11,17-Dimethyl-15H-Cyclopenta[a]Phenanthrene
[CAS# 5831-16-3]

Identification

• Name: 16,17-Dihydro-11,17-Dimethyl-15H-Cyclopenta[a]Phenanthrene
• Synonyms: Ethyl (2E)-5-(2,5-Dimethoxyphenyl)-7-Methyl-3-Oxo-2-[(3,4,5-Trimethoxyphenyl)Methylene]-5H-Thiazolo[3,2-A]Pyrimidine-6-Carboxylate; (2E)-5-(2,5-Dimethoxyphenyl)-7-Methyl-3-Oxo-2-[(3,4,5-Trimethoxyphenyl)Methylene]-5H-Thiazolo[3,2-A]Pyrimidine-6-Carboxylic Acid Ethyl Ester; (2E)-5-(2,5-Dimethoxyphenyl)-3-Keto-7-Methyl-2-(3,4,5-Trimethoxybenzylidene)-5H-Thiazolo[3,2-A]Pyrimidine-6-Carboxylic Acid Ethyl Ester
• Molecular Formula: C₂₈H₃₀N₂O₈S
• Molecular Weight: 554.61
• CAS Registry Number: 5831-16-3
• SMILES: C1=C(C=CC(=C1C2N3C(=NC(=C2C(=O)OCC)C)SC(/C3=O)=C/C4=CC(=C(OC)C(=C4)OC)OC)OC)OC
• InChI: 1S/C28H30N2O8S/c1-8-38-27(32)23-15(2)29-28-30(24(23)18-14-17(33-3)9-10-19(18)34-4)26(31)22(39-28)13-16-11-20(35-5)25(37-7)21(12-16)36-6/h9-14,24H,8H2,1-7H3/b22-13+
• InChIKey: ILDHSDPWUNDQRH-LPYMAVHISA-N

Properties

• Density: 1.302g/cm³ (Cal.)
• Boiling point: 673.257°C at 760 mmHg (Cal.)
• Flash point: 360.973°C (Cal.)