25,28-Di-Epi-Cyasterone
[CAS# 54082-42-7]

Identification

• Name: 25,28-Di-Epi-Cyasterone
• Synonyms: (4R)-4-[(3R)-2,3-Dihydroxy-3-[(2S,3R,5R,9R,10R,13R,17S)-2,3,14-Trihydroxy-10,13-Dimethyl-6-Oxo-2,3,4,5,9,11,12,15,16,17-Decahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]Butyl]-5-Hydroxy-3-Methyl-Tetrahydropyran-2-One; (4R)-4-[(3R)-2,3-Dihydroxy-3-[(2S,3R,5R,9R,10R,13R,17S)-2,3,14-Trihydroxy-10,13-Dimethyl-6-Oxo-2,3,4,5,9,11,12,15,16,17-Decahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]Butyl]-5-Hydroxy-3-Methyl-2-Tetrahydropyranone; (4R)-4-[(3R)-2,3-Dihydroxy-3-[(2S,3R,5R,9R,10R,13R,17S)-2,3,14-Trihydroxy-6-Keto-10,13-Dimethyl-2,3,4,5,9,11,12,15,16,17-Decahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]Butyl]-5-Hydroxy-3-Methyl-Tetrahydropyran-2-One
• Molecular Formula: C₂₉H₄₄O₉
• Molecular Weight: 536.66
• CAS Registry Number: 54082-42-7
• SMILES: [C@]24(C(O)(C1=CC(=O)[C@H]3[C@@]([C@H]1CC2)(C[C@H](O)[C@H](O)C3)C)CC[C@@H]4[C@@](O)(C(O)C[C@@H]5C(C(OCC5O)=O)C)C)C
• InChI: 1S/C29H44O9/c1-14-15(22(33)13-38-25(14)35)9-24(34)28(4,36)23-6-8-29(37)17-10-19(30)18-11-20(31)21(32)12-26(18,2)16(17)5-7-27(23,29)3/h10,14-16,18,20-24,31-34,36-37H,5-9,11-13H2,1-4H3/t14?,15-,16+,18+,20-,21+,22?,23+,24?,26-,27-,28-,29?/m1/s1
• InChIKey: BZWMGJMVOQFRLR-AHNWCEEWSA-N

Properties

• Density: 1.366g/cm³ (Cal.)
• Boiling point: 778.715°C at 760 mmHg (Cal.)
• Flash point: 253.873°C (Cal.)