(7alpha,22R)-22-(acetyloxy)-24,25-epoxy-7-hydroxy-Ergosta-1,4-dien-3-one
[CAS# 114176-06-6]

Identification

• Name: (7alpha,22R)-22-(acetyloxy)-24,25-epoxy-7-hydroxy-Ergosta-1,4-dien-3-one
• Synonyms: [(2S)-2-[(7R,8S,9S,10R,13R,14S,17R)-7-Hydroxy-10,13-Dimethyl-3-Oxo-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-17-Yl]-1-[[(2R)-2,3,3-Trimethyloxiran-2-Yl]Methyl]Propyl] Acetate; Acetic Acid [(2S)-2-[(7R,8S,9S,10R,13R,14S,17R)-7-Hydroxy-10,13-Dimethyl-3-Oxo-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-17-Yl]-1-[[(2R)-2,3,3-Trimethyl-2-Oxiranyl]Methyl]Propyl] Ester; Acetic Acid [(2S)-2-[(7R,8S,9S,10R,13R,14S,17R)-7-Hydroxy-3-Keto-10,13-Dimethyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-17-Yl]-1-[[(2R)-2,3,3-Trimethyloxiran-2-Yl]Methyl]Propyl] Ester
• Molecular Formula: C₃₀H₄₄O₅
• Molecular Weight: 484.67
• CAS Registry Number: 114176-06-6
• SMILES: [C@H]35[C@H]1[C@@]([C@H](CC1)[C@@H](C(OC(=O)C)C[C@]2(OC2(C)C)C)C)(CC[C@@H]3[C@@]4(C(=CC(=O)C=C4)C[C@H]5O)C)C
• InChI: 1S/C30H44O5/c1-17(25(34-18(2)31)16-30(7)27(3,4)35-30)21-8-9-22-26-23(11-13-29(21,22)6)28(5)12-10-20(32)14-19(28)15-24(26)33/h10,12,14,17,21-26,33H,8-9,11,13,15-16H2,1-7H3/t17-,21+,22-,23-,24+,25?,26-,28-,29+,30+/m0/s1
• InChIKey: FOOICJVUXQJOTQ-PMSAPWGOSA-N

Properties

• Density: 1.152g/cm³ (Cal.)
• Boiling point: 579.541°C at 760 mmHg (Cal.)
• Flash point: 181.312°C (Cal.)