(8S,9R,10S,11S,13S,14S,16R,17R)-9-Fluoro-11,17-Dihydroxy-10,13,16-Trimethyl-17-[2-(Phenylmethoxy)Acetyl]-6,7,8,11,12,14,15,16-Octahydrocyclopenta[a]Phenanthren-3-One
[CAS# 150587-07-8]

Identification

• Name: (8S,9R,10S,11S,13S,14S,16R,17R)-9-Fluoro-11,17-Dihydroxy-10,13,16-Trimethyl-17-[2-(Phenylmethoxy)Acetyl]-6,7,8,11,12,14,15,16-Octahydrocyclopenta[a]Phenanthren-3-One
• Synonyms: (8S,9R,10S,11S,13S,14S,16R,17R)-9-Fluoro-11,17-Dihydroxy-10,13,16-Trimethyl-17-[1-Oxo-2-(Phenylmethoxy)Ethyl]-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-3-One; (8S,9R,10S,11S,13S,14S,16R,17R)-17-[2-(Benzyloxy)Acetyl]-9-Fluoro-11,17-Dihydroxy-10,13,16-Trimethyl-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-3-One; (8S,9R,10S,11S,13S,14S,16R,17R)-9-Fluoro-11,17-Dihydroxy-10,13,16-Trimethyl-17-[2-(Phenylmethoxy)Ethanoyl]-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-3-One
• Molecular Formula: C₂₉H₃₅FO₅
• Molecular Weight: 482.59
• CAS Registry Number: 150587-07-8
• SMILES: [C@]34([C@H]([C@H]2[C@]([C@@]1(C(=CC(=O)C=C1)CC2)C)(F)[C@H](C3)O)C[C@H]([C@@]4(C(=O)COCC5=CC=CC=C5)O)C)C
• InChI: 1S/C29H35FO5/c1-18-13-23-22-10-9-20-14-21(31)11-12-26(20,2)28(22,30)24(32)15-27(23,3)29(18,34)25(33)17-35-16-19-7-5-4-6-8-19/h4-8,11-12,14,18,22-24,32,34H,9-10,13,15-17H2,1-3H3/t18-,22+,23+,24+,26+,27+,28+,29+/m1/s1
• InChIKey: FXEMVMUWTJUWJB-DKOUAETMSA-N

Properties

• Density: 1.271g/cm³ (Cal.)
• Boiling point: 643.201°C at 760 mmHg (Cal.)
• Flash point: 342.796°C (Cal.)