| SpectraBase Spectrum ID |
6VlgKO1jApX |
| Name |
(22R,24R)-3.beta.-Acetoxy-22-bromo-24-methyl-5.alpha.-cholestan-6,23-dione |
| Alternate Name(s) |
(3beta,5alpha,22R)-22-bromo-6,23-dioxoergostan-3-yl acetate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C30H47BrO4 |
| InChI |
InChI=1S/C30H47BrO4/c1-16(2)17(3)28(34)27(31)18(4)22-8-9-23-21-15-26(33)25-14-20(35-19(5)32)10-12-30(25,7)24(21)11-13-29(22,23)6/h16-18,20-25,27H,8-15H2,1-7H3/t17-,18+,20+,21+,22-,23+,24+,25-,27-,29-,30-/m1/s1 |
| InChIKey |
ZGKSZWOHCWJVKS-BQIJFXMYSA-N |
| Molecular Weight |
551.606 g/mol |
| SMILES |
[C@@]12([C@]([C@@]3(CC(=O)[C@@]4([C@@]([C@]3(CC2)[H])(CC[C@](OC(=O)C)(C4)[H])C)[H])[H])(CC[C@@]1([C@@]([C@](C([C@@](C(C)C)(C)[H])=O)(Br)[H])(C)[H])[H])[H])C |
| SPLASH |
splash10-00dj-9000100000-c1f3ed59f08c486c74a6 |
| Source of Spectrum |
F-53-17050-15 |
| Wiley ID |
804721 |
