(8R,9S,13S,14S)-17-[(E)-2-Chloro-2-Iodoethenyl]-13-Methyl-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[a]Phenanthrene-3,17-Diol
[CAS# 151986-79-7]

Identification

• Name: (8R,9S,13S,14S)-17-[(E)-2-Chloro-2-Iodoethenyl]-13-Methyl-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[a]Phenanthrene-3,17-Diol
• Synonyms: (8R,9S,13S,14S)-17-[(E)-2-Chloro-2-Iodo-Vinyl]-13-Methyl-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthrene-3,17-Diol; (8R,9S,13S,14S)-17-[(E)-2-Chloro-2-Iodovinyl]-13-Methyl-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthrene-3,17-Diol; (8R,9S,13S,14S)-17-[(E)-2-Chloro-2-Iodo-Ethenyl]-13-Methyl-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthrene-3,17-Diol
• Molecular Formula: C₂₀H₂₄ClIO₂
• Molecular Weight: 458.77
• CAS Registry Number: 151986-79-7
• SMILES: [C@@H]23CCC1=C(C=CC(=C1)O)[C@H]2CC[C@]4([C@H]3CCC4(\C=C(I)/Cl)O)C
• InChI: 1S/C20H24ClIO2/c1-19-8-6-15-14-5-3-13(23)10-12(14)2-4-16(15)17(19)7-9-20(19,24)11-18(21)22/h3,5,10-11,15-17,23-24H,2,4,6-9H2,1H3/b18-11+/t15-,16-,17+,19+,20?/m1/s1
• InChIKey: LUOIZCAYCTUDPW-OPMVKILCSA-N

Properties

• Density: 1.636g/cm³ (Cal.)
• Boiling point: 544.203°C at 760 mmHg (Cal.)
• Flash point: 282.924°C (Cal.)