(2R,3S,5S,8R,9R,10R,13S,14S,17R)-17-[(2S,3R,4R,5R)-3,4-Dihydroxy-5,6-Dimethylheptan-2-Yl]-2,3-Dihydroxy-10,13-Dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[a]Phenanthren-6-One
[CAS# 72050-71-6]

Identification

• Name: (2R,3S,5S,8R,9R,10R,13S,14S,17R)-17-[(2S,3R,4R,5R)-3,4-Dihydroxy-5,6-Dimethylheptan-2-Yl]-2,3-Dihydroxy-10,13-Dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[a]Phenanthren-6-One
• Synonyms: (2R,3S,5S,8R,9R,10R,13S,14S,17R)-17-[(1S,2R,3R,4R)-2,3-Dihydroxy-1,4,5-Trimethyl-Hexyl]-2,3-Dihydroxy-10,13-Dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-6-One; (2R,3S,5S,8R,9R,10R,13S,14S,17R)-17-[(1S,2R,3R,4R)-2,3-Dihydroxy-1,4,5-Trimethylhexyl]-2,3-Dihydroxy-10,13-Dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-6-One; (2R,3S,5S,8R,9R,10R,13S,14S,17R)-17-[(2S,3R,4R,5R)-3,4-Dihydroxy-5,6-Dimethyl-Heptan-2-Yl]-2,3-Dihydroxy-10,13-Dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-6-One
• Molecular Formula: C₂₈H₄₈O₅
• Molecular Weight: 464.68
• CAS Registry Number: 72050-71-6
• SMILES: [C@]34([C@H]([C@@H]1[C@H]([C@@]2([C@@H](C(=O)C1)C[C@H](O)[C@H](O)C2)C)CC3)CC[C@@H]4[C@@H]([C@@H](O)[C@H](O)[C@@H](C(C)C)C)C)C
• InChI: 1S/C28H48O5/c1-14(2)15(3)25(32)26(33)16(4)18-7-8-19-17-11-22(29)21-12-23(30)24(31)13-28(21,6)20(17)9-10-27(18,19)5/h14-21,23-26,30-33H,7-13H2,1-6H3/t15-,16+,17-,18-,19+,20-,21-,23+,24-,25-,26-,27-,28-/m1/s1
• InChIKey: VYUIKSFYFRVQLF-YCKUUJNFSA-N

Properties

• Density: 1.127g/cm³ (Cal.)
• Boiling point: 598.722°C at 760 mmHg (Cal.)
• Flash point: 329.925°C (Cal.)