| SpectraBase Spectrum ID |
1KmYzJ7FAhD |
| Name |
6.beta.-Iodo-5.alpha.-cholestan-3.alpha.,5-diol 3-acetate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C29H49IO3 |
| InChI |
InChI=1S/C29H49IO3/c1-18(2)8-7-9-19(3)23-10-11-24-22-16-26(30)29(32)17-21(33-20(4)31)12-15-28(29,6)25(22)13-14-27(23,24)5/h18-19,21-26,32H,7-17H2,1-6H3/t19-,21-,22+,23-,24+,25+,26-,27-,28-,29+/m1/s1 |
| InChIKey |
DELJSAKOHWQJEF-YILKZWTPSA-N |
| Molecular Weight |
572.612 g/mol |
| SMILES |
O[C@@]12[C@@]([C@@]3([C@]([C@@]4(CC[C@@]([C@]4(CC3)C)([C@@](CCCC(C)C)(C)[H])[H])[H])(C[C@]2(I)[H])[H])[H])(CC[C@@](OC(=O)C)(C1)[H])C |
| SPLASH |
splash10-014i-0009000000-1b0961b808f8eff68b55 |
| Source of Spectrum |
PS-50-1844-21 |
| Synonyms |
(3alpha,5alpha,6beta)-5-hydroxy-6-iodocholestan-3-yl acetate |
| Wiley ID |
1407841 |
