| SpectraBase Spectrum ID |
2VtVgF4eYaq |
| Name |
5,6-Epoxy-5H-cyclopenta[a]phenanthrene, cholestan-3-ol deriv. |
| Alternate Name(s) |
5.beta.-Cholestan-3.beta.-ol, 5,6.beta.-epoxy-, acetate
Cholestan-3-ol, 5,6-epoxy-, acetate, (3.beta.,5.beta.,6.beta.)-
(3S,4aS,5aR,6aS,6bS,9R,9aR,11aS,11bR)-9-[(1R)-1,5-dimethylhexyl]-9a,11b-dimethylhexadecahydrocyclopenta[1,2]phenanthro[8a,9-b]oxiren-3-yl acetate
3.beta.-acetoxy-5,6.beta.-epoxy-5.beta.-cholestane
3.beta.-acetoxy-5.beta.,6.beta.-cholestane oxide
3.beta.-acetoxy-5.beta.,6.beta.-epoxycholestane
5,6.beta.-epoxy-5.beta.-cholestan-3.beta.-ol acetate
5,6.beta.-epoxy-5.beta.-cholestan-3.beta.-yl acetate |
| CAS Registry Number |
1256-31-1 |
| 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-SBJPRDOKSA-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 |
splash10-001i-0009000000-d90f339953ee3a996b06 |
| Source of Spectrum |
I-65-2209-4 |
| Wiley ID |
1386175 |
