| SpectraBase Spectrum ID |
9mCyiJkf4Cs |
| Name |
Cholestan-3-one, 2-methoxy-2,4,4-trimethyl-, (5.alpha.)- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
458.412380977 u |
| Formula |
C31H54O2 |
| InChI |
InChI=1S/C31H54O2/c1-20(2)11-10-12-21(3)23-14-15-24-22-13-16-26-28(4,5)27(32)31(8,33-9)19-30(26,7)25(22)17-18-29(23,24)6/h20-26H,10-19H2,1-9H3/t21-,22+,23-,24+,25+,26+,29-,30-,31?/m1/s1 |
| InChIKey |
KYKRZLCTQSCART-NESCZKJWSA-N |
| Molecular Weight |
458.771 g/mol |
| SMILES |
[C@@]12([C@](C(C)(C)C(C(C2)(OC)C)=O)(CC[C@]2([C@@]3(CC[C@@]([C@]3(CC[C@]12[H])C)([C@@](CCCC(C)C)(C)[H])[H])[H])[H])[H])C |
