16-Methylenechlormadinone
[CAS# 6799-23-1]

Identification

• Name: 16-Methylenechlormadinone
• Synonyms: [(8R,9S,10R,13S,14S,17R)-17-Acetyl-6-Chloro-10,13-Dimethyl-16-Methylene-3-Oxo-1,2,8,9,11,12,14,15-Octahydrocyclopenta[A]Phenanthren-17-Yl] Acetate; Acetic Acid [(8R,9S,10R,13S,14S,17R)-17-Acetyl-6-Chloro-10,13-Dimethyl-16-Methylene-3-Oxo-1,2,8,9,11,12,14,15-Octahydrocyclopenta[A]Phenanthren-17-Yl] Ester; Acetic Acid [(8R,9S,10R,13S,14S,17R)-17-Acetyl-6-Chloro-3-Keto-10,13-Dimethyl-16-Methylene-1,2,8,9,11,12,14,15-Octahydrocyclopenta[A]Phenanthren-17-Yl] Ester
• Molecular Formula: C₂₄H₂₉ClO₄
• Molecular Weight: 416.94
• CAS Registry Number: 6799-23-1
• SMILES: [C@H]34[C@H]2[C@@H]([C@@]1(C(=CC(=O)CC1)C(=C2)Cl)C)CC[C@@]3([C@](OC(=O)C)(C(C4)=C)C(=O)C)C
• InChI: 1S/C24H29ClO4/c1-13-10-19-17-12-21(25)20-11-16(28)6-8-22(20,4)18(17)7-9-23(19,5)24(13,14(2)26)29-15(3)27/h11-12,17-19H,1,6-10H2,2-5H3/t17-,18+,19+,22-,23+,24+/m1/s1
• InChIKey: MDTBKPVVPCIBIT-USYNNDFZSA-N

Properties

• Density: 1.227g/cm³ (Cal.)
• Boiling point: 521.433°C at 760 mmHg (Cal.)
• Flash point: 172.741°C (Cal.)