(2S,8S,10R,13R)-10,13-Dimethyl-17-[(2R)-5,6,6-Trimethylheptan-2-Yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[a]Phenanthrene-2,3,6-Triol
[CAS# 79405-68-8]

Identification

• Name: (2S,8S,10R,13R)-10,13-Dimethyl-17-[(2R)-5,6,6-Trimethylheptan-2-Yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[a]Phenanthrene-2,3,6-Triol
• Synonyms: (2S,8S,10R,13R)-10,13-Dimethyl-17-[(1R)-1,4,5,5-Tetramethylhexyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthrene-2,3,6-Triol; Nci60_006472
• Molecular Formula: C₂₉H₅₂O₃
• Molecular Weight: 448.73
• CAS Registry Number: 79405-68-8
• SMILES: [C@H]4(C(CC3C(O)C[C@@H]1C(CC[C@@]2(C)C1CCC2[C@H](C)CCC(C(C)(C)C)C)[C@]3(C4)C)O)O
• InChI: 1S/C29H52O3/c1-17(8-9-18(2)27(3,4)5)20-10-11-21-19-14-24(30)23-15-25(31)26(32)16-29(23,7)22(19)12-13-28(20,21)6/h17-26,30-32H,8-16H2,1-7H3/t17-,18?,19+,20?,21?,22?,23?,24?,25?,26+,28-,29-/m1/s1
• InChIKey: VSYXVGMOAPVKFR-KFPLHMCGSA-N

Properties

• Density: 1.036g/cm³ (Cal.)
• Boiling point: 536.282°C at 760 mmHg (Cal.)
• Flash point: 216.506°C (Cal.)