| SpectraBase Spectrum ID |
8Pr0as3iyj4 |
| Name |
5,6.alpha.-Epoxy-5.alpha.-cholestan-3.alpha.-ol acetate |
| Alternate Name(s) |
3.beta.-Acetoxy-5,6.alpha.-epoxycholestane
(3R,4aR,5aS,6aS,6bS,9R,9aR,11aS,11bR)-9-[(1R)-1,5-dimethylhexyl]-9a,11b-dimethylhexadecahydrocyclopenta[1,2]phenanthro[8a,9-b]oxiren-3-yl acetate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C29H48O3 |
| InChI |
InChI=1S/C29H48O3/c1-18(2)8-7-9-19(3)23-10-11-24-22-16-26-29(32-26)17-21(31-20(4)30)12-15-28(29,6)25(22)13-14-27(23,24)5/h18-19,21-26H,7-17H2,1-6H3/t19-,21-,22+,23-,24+,25+,26+,27-,28-,29+/m1/s1 |
| InChIKey |
VEEBKUQFPONGGR-GJQQSYTOSA-N |
| Molecular Weight |
444.700 g/mol |
| SMILES |
[C@]123O[C@]3(C[C@@]3([C@@]([C@]1(CC[C@](C2)(OC(=O)C)[H])C)(CC[C@@]1([C@@]([C@@](CCCC(C)C)(C)[H])(CC[C@@]31[H])[H])C)[H])[H])[H] |
| SPLASH |
splash10-00lr-0009000000-77e1ff969f6cd8818e8c |
| Source of Spectrum |
K1-2004-4786-3 |
| Wiley ID |
1562012 |
