| SpectraBase Spectrum ID |
6NxvD4wgiCG |
| Name |
(22R)-23,23-Difluoro-22-hydroxy-24-methyl-24-oxo-5.alpha.-cholane-3.alpha.,6.alpha.-diyl diacetate |
| Alternate Name(s) |
(1S,2R,5R,7S,8S,10S,11S,14R,15S)-5-(acetyloxy)-14-[(2S,3R)-4,4-difluoro-3-hydroxy-5-oxohexan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadecan-8-yl acetate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C29H44F2O6 |
| InChI |
InChI=1S/C29H44F2O6/c1-15(26(35)29(30,31)16(2)32)21-7-8-22-20-14-25(37-18(4)34)24-13-19(36-17(3)33)9-11-28(24,6)23(20)10-12-27(21,22)5/h15,19-26,35H,7-14H2,1-6H3/t15-,19+,20-,21+,22-,23-,24+,25-,26+,27+,28+/m0/s1 |
| InChIKey |
MZUGFWXFEHXKJO-QVLDIKTJSA-N |
| Molecular Weight |
526.662 g/mol |
| SMILES |
O[C@@](C(C(=O)C)(F)F)([C@]([C@@]1([C@@]2([C@]([C@@]3(C[C@](OC(=O)C)([C@@]4([C@@]([C@]3(CC2)[H])(CC[C@@](OC(=O)C)(C4)[H])C)[H])[H])[H])(CC1)[H])C)[H])(C)[H])[H] |
| SPLASH |
splash10-0a4i-0000900000-fa11ee4d8f4ea06a27f6 |
| Source of Spectrum |
KC-1993-798-5 |
| Wiley ID |
779400 |
