(20R,22R,24S)-2beta,3beta,14alpha,20,22,24-Hexahydroxy-5beta-Cholesta-7-Ene-6-One
[CAS# 18089-44-6]

Identification

• Name: (20R,22R,24S)-2beta,3beta,14alpha,20,22,24-Hexahydroxy-5beta-Cholesta-7-Ene-6-One
• Synonyms: (2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-Trihydroxy-10,13-Dimethyl-17-[(1R,2R,4S)-1,2,4-Trihydroxy-1,5-Dimethyl-Hexyl]-2,3,4,5,9,11,12,15,16,17-Decahydro-1H-Cyclopenta[A]Phenanthren-6-One; (2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-Trihydroxy-10,13-Dimethyl-17-[(1R,2R,4S)-1,2,4-Trihydroxy-1,5-Dimethylhexyl]-2,3,4,5,9,11,12,15,16,17-Decahydro-1H-Cyclopenta[A]Phenanthren-6-One; (2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-Trihydroxy-10,13-Dimethyl-17-[(2R,3R,5S)-2,3,5-Trihydroxy-6-Methyl-Heptan-2-Yl]-2,3,4,5,9,11,12,15,16,17-Decahydro-1H-Cyclopenta[A]Phenanthren-6-One
• Molecular Formula: C₂₇H₄₄O₇
• Molecular Weight: 480.64
• CAS Registry Number: 18089-44-6
• SMILES: [C@@]34(C2=CC([C@@H]1C[C@@H](O)[C@H](C[C@@]1([C@H]2CC[C@@]3([C@@H]([C@]([C@@H](C[C@@H](C(C)C)O)O)(O)C)CC4)C)C)O)=O)O
• InChI: 1S/C27H44O7/c1-14(2)18(28)12-23(32)26(5,33)22-7-9-27(34)16-10-19(29)17-11-20(30)21(31)13-24(17,3)15(16)6-8-25(22,27)4/h10,14-15,17-18,20-23,28,30-34H,6-9,11-13H2,1-5H3/t15-,17-,18-,20+,21-,22-,23+,24+,25+,26+,27+/m0/s1
• InChIKey: UMMBJCYNGLCGEF-OAUIFJKNSA-N

Properties

• Density: 1.278g/cm³ (Cal.)
• Boiling point: 692.668°C at 760 mmHg (Cal.)
• Flash point: 386.678°C (Cal.)