3-[(7R,8R,9S,10R,13S,14S)-7-Acetylsulfanyl-17-Hydroxy-10,13-Dimethyl-3-Oxo-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[a]Phenanthren-17-Yl]Propanoic Acid; 1-Naphthalen-1-Yloxy-3-(Propan-2-Ylamino)Propan-2-Ol
[CAS# 138230-23-6]

Identification

• Name: 3-[(7R,8R,9S,10R,13S,14S)-7-Acetylsulfanyl-17-Hydroxy-10,13-Dimethyl-3-Oxo-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[a]Phenanthren-17-Yl]Propanoic Acid; 1-Naphthalen-1-Yloxy-3-(Propan-2-Ylamino)Propan-2-Ol
• Synonyms: 3-[(7R,8R,9S,10R,13S,14S)-7-Acetylsulfanyl-17-Hydroxy-10,13-Dimethyl-3-Oxo-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]Propanoic Acid; 1-(Isopropylamino)-3-(1-Naphthyloxy)Propan-2-Ol; 3-[(7R,8R,9S,10R,13S,14S)-7-(Acetylthio)-17-Hydroxy-10,13-Dimethyl-3-Oxo-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]Propanoic Acid; 1-(Isopropylamino)-3-(1-Naphthyloxy)Propan-2-Ol; 3-[(7R,8R,9S,10R,13S,14S)-7-(Acetylthio)-17-Hydroxy-3-Keto-10,13-Dimethyl-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]Propionic Acid; 1-(Isopropylamino)-3-(1-Naphthyloxy)Propan-2-Ol
• Molecular Formula: C₄₀H₅₅NO₇S
• Molecular Weight: 693.94
• CAS Registry Number: 138230-23-6
• SMILES: [C@H]24[C@H]1[C@@](C(O)(CC1)CCC(=O)O)(CC[C@@H]2[C@@]3(C(=CC(=O)CC3)C[C@H]4SC(=O)C)C)C.C5=CC=CC6=CC=CC(=C56)OCC(O)CNC(C)C
• InChI: 1S/C24H34O5S.C16H21NO2/c1-14(25)30-19-13-15-12-16(26)4-8-22(15,2)17-5-9-23(3)18(21(17)19)6-10-24(23,29)11-7-20(27)28;1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h12,17-19,21,29H,4-11,13H2,1-3H3,(H,27,28);3-9,12,14,17-18H,10-11H2,1-2H3/t17-,18-,19+,21+,22-,23-,24?;/m0./s1
• InChIKey: YTYUCAQFELYLJP-ATJCWOKCSA-N

Properties

• Boiling point: 618.3°C at 760 mmHg (Cal.)
• Flash point: 327.7°C (Cal.)