[(5R,7R,8R,9R,10S,11R,13S,17S)-17-[(2S,3R,5S)-5-Butan-2-Yl-2-Hydroxyoxolan-3-Yl]-11-Hydroxy-4,4,8,10,13-Pentamethyl-3-Oxo-5,6,7,9,11,12,16,17-Octahydrocyclopenta[a]Phenanthren-7-Yl] Acetate
[CAS# 106807-35-6]

Identification

• Name: [(5R,7R,8R,9R,10S,11R,13S,17S)-17-[(2S,3R,5S)-5-Butan-2-Yl-2-Hydroxyoxolan-3-Yl]-11-Hydroxy-4,4,8,10,13-Pentamethyl-3-Oxo-5,6,7,9,11,12,16,17-Octahydrocyclopenta[a]Phenanthren-7-Yl] Acetate
• Synonyms: [(5R,7R,8R,9R,10S,11R,13S,17S)-11-Hydroxy-17-[(2S,3R,5S)-2-Hydroxy-5-Sec-Butyl-Tetrahydrofuran-3-Yl]-4,4,8,10,13-Pentamethyl-3-Oxo-5,6,7,9,11,12,16,17-Octahydrocyclopenta[A]Phenanthren-7-Yl] Acetate; Acetic Acid [(5R,7R,8R,9R,10S,11R,13S,17S)-11-Hydroxy-17-[(2S,3R,5S)-2-Hydroxy-5-Sec-Butyl-3-Tetrahydrofuranyl]-4,4,8,10,13-Pentamethyl-3-Oxo-5,6,7,9,11,12,16,17-Octahydrocyclopenta[A]Phenanthren-7-Yl] Ester; Acetic Acid [(5R,7R,8R,9R,10S,11R,13S,17S)-11-Hydroxy-17-[(2S,3R,5S)-2-Hydroxy-5-Sec-Butyl-Tetrahydrofuran-3-Yl]-3-Keto-4,4,8,10,13-Pentamethyl-5,6,7,9,11,12,16,17-Octahydrocyclopenta[A]Phenanthren-7-Yl] Ester
• Molecular Formula: C₃₂H₄₈O₆
• Molecular Weight: 528.73
• CAS Registry Number: 106807-35-6
• SMILES: [C@@H]24[C@](C1=CC[C@H]([C@@]1(C[C@H]2O)C)[C@@H]3[C@H](O[C@@H](C3)C(CC)C)O)([C@H](OC(=O)C)C[C@@H]5[C@@]4(C=CC(=O)C5(C)C)C)C
• InChI: 1S/C32H48O6/c1-9-17(2)22-14-19(28(36)38-22)20-10-11-23-31(20,7)16-21(34)27-30(6)13-12-25(35)29(4,5)24(30)15-26(32(23,27)8)37-18(3)33/h11-13,17,19-22,24,26-28,34,36H,9-10,14-16H2,1-8H3/t17?,19-,20+,21-,22+,24+,26-,27-,28+,30+,31+,32-/m1/s1
• InChIKey: WDFBTQUPHDHIQD-YUOXBHLDSA-N

Properties

• Density: 1.171g/cm³ (Cal.)
• Boiling point: 623.501°C at 760 mmHg (Cal.)
• Flash point: 192.409°C (Cal.)