| SpectraBase Spectrum ID |
J1WIO6OF2ZG |
| Name |
Cholestane-2-acetic acid, 3-oxo-, ethyl ester, (2.alpha.,5.alpha.)- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
472.391645531 u |
| Formula |
C31H52O3 |
| InChI |
InChI=1S/C31H52O3/c1-7-34-29(33)17-22-19-31(6)23(18-28(22)32)11-12-24-26-14-13-25(21(4)10-8-9-20(2)3)30(26,5)16-15-27(24)31/h20-27H,7-19H2,1-6H3/t21-,22-,23+,24+,25-,26+,27+,30-,31+/m1/s1 |
| InChIKey |
MILDGMYABKEILA-JJJRGRSHSA-N |
| Molecular Weight |
472.754 g/mol |
| SMILES |
[C@@]12([C@@]3([C@@]([C@@]4(CC[C@@]([C@]4(CC3)C)([C@@](CCCC(C)C)(C)[H])[H])[H])([H])CC[C@]2(CC(=O)[C@@](C1)(CC(=O)OCC)[H])[H])[H])C |
