| SpectraBase Spectrum ID |
F0EY4cg9aHU |
| Name |
(22R,23S,24R)-3.beta.-Acetoxy-22-bromo-23,24-epoxy-24-methyl-5.alpha.-cholestan-6-one |
| Alternate Name(s) |
(1S,2R,5S,7S,10S,11S,14R,15S)-14-[(1R,2S)-1-bromo-1-[(2S,3R)-3-methyl-3-(propan-2-yl)oxiran-2-yl]propan-2-yl]-2,15-dimethyl-8-oxotetracyclo[8.7.0.0(2,7).0(11,15)]heptadecan-5-yl acetate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C30H47BrO4 |
| InChI |
InChI=1S/C30H47BrO4/c1-16(2)30(7)27(35-30)26(31)17(3)21-8-9-22-20-15-25(33)24-14-19(34-18(4)32)10-12-29(24,6)23(20)11-13-28(21,22)5/h16-17,19-24,26-27H,8-15H2,1-7H3/t17-,19-,20-,21+,22-,23-,24+,26+,27+,28+,29+,30+/m0/s1 |
| InChIKey |
CNEZGFPHNGQPMK-YNPFPKGXSA-N |
| Molecular Weight |
551.606 g/mol |
| SMILES |
[C@@]1([C@](C(C)C)(C)O1)([C@@]([C@]([C@@]1([C@@]2([C@@]([C@@]3(CC(=O)[C@@]4([C@@]([C@]3(CC2)[H])(CC[C@](OC(=O)C)(C4)[H])C)[H])[H])([H])CC1)C)[H])(C)[H])(Br)[H])[H] |
| SPLASH |
splash10-0fk9-0701900000-324750c1b3d441e87cec |
| Source of Spectrum |
F-53-17050-13 |
| Wiley ID |
804724 |
