(22R,24R)-2beta,3beta,5,14,20,22,25-Heptahydroxy-5beta-Ergost-7-En-6-One
[CAS# 50299-45-1]

Identification

• Name: (22R,24R)-2beta,3beta,5,14,20,22,25-Heptahydroxy-5beta-Ergost-7-En-6-One
• Synonyms: (2S,3R,5S,9R,10R,13R,17S)-2,3,5,14-Tetrahydroxy-10,13-Dimethyl-17-[(1R,4S)-1,2,5-Trihydroxy-1,4,5-Trimethyl-Hexyl]-1,2,3,4,9,11,12,15,16,17-Decahydrocyclopenta[A]Phenanthren-6-One; (2S,3R,5S,9R,10R,13R,17S)-2,3,5,14-Tetrahydroxy-10,13-Dimethyl-17-[(1R,4S)-1,2,5-Trihydroxy-1,4,5-Trimethylhexyl]-1,2,3,4,9,11,12,15,16,17-Decahydrocyclopenta[A]Phenanthren-6-One; (2S,3R,5S,9R,10R,13R,17S)-2,3,5,14-Tetrahydroxy-10,13-Dimethyl-17-[(2R,5S)-2,3,6-Trihydroxy-5,6-Dimethyl-Heptan-2-Yl]-1,2,3,4,9,11,12,15,16,17-Decahydrocyclopenta[A]Phenanthren-6-One
• Molecular Formula: C₂₈H₄₆O₈
• Molecular Weight: 510.67
• CAS Registry Number: 50299-45-1
• SMILES: [C@]24(C(O)(C1=CC(=O)[C@@]3(O)[C@@]([C@H]1CC2)(C[C@H](O)[C@H](O)C3)C)CC[C@@H]4[C@@](O)(C(O)C[C@@H](C(O)(C)C)C)C)C
• InChI: 1S/C28H46O8/c1-15(23(2,3)33)11-21(31)26(6,34)20-8-10-27(35)17-12-22(32)28(36)14-19(30)18(29)13-25(28,5)16(17)7-9-24(20,27)4/h12,15-16,18-21,29-31,33-36H,7-11,13-14H2,1-6H3/t15-,16-,18-,19+,20-,21?,24+,25+,26+,27?,28+/m0/s1
• InChIKey: LMQKRCYKYDRRFC-MUSQTIDQSA-N

Properties

• Density: 1.313g/cm³ (Cal.)
• Boiling point: 734.115°C at 760 mmHg (Cal.)
• Flash point: 411.717°C (Cal.)