| SpectraBase Spectrum ID |
2t79bi8FX8s |
| Name |
(22R,23R,and 22S,23S)-3.beta.-Acetoxy-22,23-dibromo-24-methyl-5.alpha.-cholestan-6-one |
| Alternate Name(s) |
(3beta,5alpha)-22,23-dibromo-6-oxoergostan-3-yl acetate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C30H48Br2O3 |
| InChI |
InChI=1S/C30H48Br2O3/c1-16(2)17(3)27(31)28(32)18(4)22-8-9-23-21-15-26(34)25-14-20(35-19(5)33)10-12-30(25,7)24(21)11-13-29(22,23)6/h16-18,20-25,27-28H,8-15H2,1-7H3/t17-,18+,20+,21+,22-,23+,24+,25-,27?,28?,29-,30-/m1/s1 |
| InChIKey |
PUTPGBPJRFBXJV-VBXJEYCVSA-N |
| Molecular Weight |
616.519 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])Br)Br)(C)[H])[H])[H])C |
| SPLASH |
splash10-0a4i-0000093000-0e3ef76e4adbe5a21662 |
| Source of Spectrum |
F-53-17049-11 |
| Wiley ID |
804725 |
