(22R)-2beta,3beta,14,20,22,26-Hexahydroxy-5beta-Ergost-7-En-6-One
[CAS# 20512-31-6]

Identification

• Name: (22R)-2beta,3beta,14,20,22,26-Hexahydroxy-5beta-Ergost-7-En-6-One
• Synonyms: (2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-Trihydroxy-10,13-Dimethyl-17-[(1R,2R,4R)-1,2,6-Trihydroxy-1,4,5-Trimethyl-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,4R)-1,2,6-Trihydroxy-1,4,5-Trimethylhexyl]-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,5R)-2,3,7-Trihydroxy-5,6-Dimethyl-Heptan-2-Yl]-2,3,4,5,9,11,12,15,16,17-Decahydro-1H-Cyclopenta[A]Phenanthren-6-One
• Molecular Formula: C₂₈H₄₆O₇
• Molecular Weight: 494.67
• CAS Registry Number: 20512-31-6
• 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@H](O)C[C@H](C(CO)C)C)C)C
• InChI: 1S/C28H46O7/c1-15(16(2)14-29)10-24(33)27(5,34)23-7-9-28(35)18-11-20(30)19-12-21(31)22(32)13-25(19,3)17(18)6-8-26(23,28)4/h11,15-17,19,21-24,29,31-35H,6-10,12-14H2,1-5H3/t15-,16?,17+,19+,21-,22+,23+,24-,25-,26-,27-,28-/m1/s1
• InChIKey: ZJISPMMPECVLMY-CSUDGKPCSA-N

Properties

• Density: 1.262g/cm³ (Cal.)
• Boiling point: 715.107°C at 760 mmHg (Cal.)
• Flash point: 400.234°C (Cal.)