(8S,9S,10S,13R,14S,17S)-10,13-Dimethyl-17-[(2R)-6-Methyl-5-Methylideneheptan-2-Yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[a]Phenanthrene-1,3,5,6-Tetrol
[CAS# 124596-64-1]

Identification

• Name: (8S,9S,10S,13R,14S,17S)-10,13-Dimethyl-17-[(2R)-6-Methyl-5-Methylideneheptan-2-Yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[a]Phenanthrene-1,3,5,6-Tetrol
• Synonyms: (8S,9S,10S,13R,14S,17S)-17-[(1R)-1,5-Dimethyl-4-Methylene-Hexyl]-10,13-Dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[A]Phenanthrene-1,3,5,6-Tetrol; (8S,9S,10S,13R,14S,17S)-17-[(1R)-1,5-Dimethyl-4-Methylenehexyl]-10,13-Dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[A]Phenanthrene-1,3,5,6-Tetrol; (8S,9S,10S,13R,14S,17S)-17-[(1R)-4-Isopropyl-1-Methyl-Pent-4-Enyl]-10,13-Dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[A]Phenanthrene-1,3,5,6-Tetrol
• Molecular Formula: C₂₈H₄₈O₄
• Molecular Weight: 448.68
• CAS Registry Number: 124596-64-1
• SMILES: [C@@H]23CC(C1(CC(CC([C@@]1([C@H]2CC[C@]4([C@H]3CC[C@H]4[C@@H](CCC(C(C)C)=C)C)C)C)O)O)O)O
• InChI: 1S/C28H48O4/c1-16(2)17(3)7-8-18(4)21-9-10-22-20-14-25(31)28(32)15-19(29)13-24(30)27(28,6)23(20)11-12-26(21,22)5/h16,18-25,29-32H,3,7-15H2,1-2,4-6H3/t18-,19?,20+,21+,22+,23+,24?,25?,26-,27+,28?/m1/s1
• InChIKey: CXPIFTPKWGXGCI-NFGQZVQMSA-N

Properties

• Density: 1.113g/cm³ (Cal.)
• Boiling point: 556.393°C at 760 mmHg (Cal.)
• Flash point: 229.828°C (Cal.)