| SpectraBase Spectrum ID |
K6r44cMw5sT |
| Name |
(22R)-23,23-Difluoro-3-.alpha.,22-dihydroxy-24,24-dimethyl-6-oxa-7a-homo-5.alpha.-cholane-7-one |
| Alternate Name(s) |
(1R,3aS,3bS,6aS,8R,10aR,10bS,12aS)-1-[(1S,2R)-3,3-difluoro-2-hydroxy-1,4-dimethylpentyl]-8-hydroxy-10a,12a-dimethylhexadecahydro-5H-indeno[4,5-d][1]benzoxepin-5-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C26H42F2O4 |
| InChI |
InChI=1S/C26H42F2O4/c1-14(2)26(27,28)23(31)15(3)18-6-7-19-17-13-22(30)32-21-12-16(29)8-10-25(21,5)20(17)9-11-24(18,19)4/h14-21,23,29,31H,6-13H2,1-5H3/t15-,16+,17-,18+,19-,20-,21-,23+,24+,25+/m0/s1 |
| InChIKey |
KRQHQJMFGDELSC-BCRFMFDHSA-N |
| Molecular Weight |
456.615 g/mol |
| SMILES |
O[C@]([C@]([C@]1(CC[C@]2([C@@]3(CC(O[C@@]4([C@](CC[C@](C4)(O)[H])([C@]3(CC[C@]12C)[H])C)[H])=O)[H])[H])[H])(C)[H])(C(C(C)C)(F)F)[H] |
| SPLASH |
splash10-00di-0000900000-75b5fcc5255dad359955 |
| Source of Spectrum |
KC-1993-799-14 |
| Wiley ID |
779392 |
