(6S,16R,17R)-6-Fluoro-11,17-Dihydroxy-17-(2-Hydroxyacetyl)-10,13,16-Trimethyl-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[a]Phenanthren-3-One
[CAS# 387-59-7]

Identification

• Name: (6S,16R,17R)-6-Fluoro-11,17-Dihydroxy-17-(2-Hydroxyacetyl)-10,13,16-Trimethyl-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[a]Phenanthren-3-One
• Synonyms: (6S,16R,17R)-6-Fluoro-11,17-Dihydroxy-17-(2-Hydroxy-1-Oxoethyl)-10,13,16-Trimethyl-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-3-One; (6S,16R,17R)-6-Fluoro-17-Glycoloyl-11,17-Dihydroxy-10,13,16-Trimethyl-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-3-One; (6S,16R,17R)-6-Fluoro-11,17-Dihydroxy-17-(2-Hydroxyethanoyl)-10,13,16-Trimethyl-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-3-One
• Molecular Formula: C₂₂H₃₁FO₅
• Molecular Weight: 394.48
• CAS Registry Number: 387-59-7
• EINECS: 206-861-0
• SMILES: [C@@]4(O)(C3(C(C2C(C1(C(=CC(=O)CC1)[C@@H](F)C2)C)C(O)C3)C[C@H]4C)C)C(=O)CO
• InChI: 1S/C22H31FO5/c1-11-6-14-13-8-16(23)15-7-12(25)4-5-20(15,2)19(13)17(26)9-21(14,3)22(11,28)18(27)10-24/h7,11,13-14,16-17,19,24,26,28H,4-6,8-10H2,1-3H3/t11-,13?,14?,16+,17?,19?,20?,21?,22+/m1/s1
• InChIKey: JXOONFORBFAKIN-KTTHZPTNSA-N

Properties

• Density: 1.299g/cm³ (Cal.)
• Boiling point: 569.868°C at 760 mmHg (Cal.)
• Flash point: 298.445°C (Cal.)