[(3S,5S,8R,9S,10S,13R,14S,17R)-10,13-Dimethyl-17-[(2R)-6-Methylheptan-2-Yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[a]Phenanthren-3-Yl] Chloroformate
[CAS# 36043-80-8]

Identification

• Name: [(3S,5S,8R,9S,10S,13R,14S,17R)-10,13-Dimethyl-17-[(2R)-6-Methylheptan-2-Yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[a]Phenanthren-3-Yl] Chloroformate
• Synonyms: [(3S,5S,8R,9S,10S,13R,14S,17R)-17-[(1R)-1,5-Dimethylhexyl]-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] Chloroformate; Chloroformic Acid [(3S,5S,8R,9S,10S,13R,14S,17R)-17-[(1R)-1,5-Dimethylhexyl]-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] Ester; [(3S,5S,8R,9S,10S,13R,14S,17R)-10,13-Dimethyl-17-[(2R)-6-Methylheptan-2-Yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] Chloromethanoate
• Molecular Formula: C₂₈H₄₇ClO₂
• Molecular Weight: 451.13
• CAS Registry Number: 36043-80-8
• SMILES: [C@H]4(OC(=O)Cl)CC[C@]2([C@@H](CC[C@H]3[C@H]1[C@@]([C@H](CC1)[C@@H](CCCC(C)C)C)(CC[C@H]23)C)C4)C
• InChI: 1S/C28H47ClO2/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(31-26(29)30)13-15-27(20,4)25(22)14-16-28(23,24)5/h18-25H,6-17H2,1-5H3/t19-,20+,21+,22+,23-,24+,25+,27+,28-/m1/s1
• InChIKey: MZPORZAJWGKMGX-AYPRRHFASA-N

Properties

• Density: 1.045g/cm³ (Cal.)
• Boiling point: 496.735°C at 760 mmHg (Cal.)
• Flash point: 193.265°C (Cal.)