| SpectraBase Spectrum ID |
AJmQICEMaCX |
| Name |
3-Oxacholestan-2-ol, 4,4-dimethyl-, (2.alpha.,5.alpha.)- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
418.381080848 u |
| Formula |
C28H50O2 |
| InChI |
InChI=1S/C28H50O2/c1-18(2)9-8-10-19(3)21-12-13-22-20-11-14-24-26(4,5)30-25(29)17-28(24,7)23(20)15-16-27(21,22)6/h18-25,29H,8-17H2,1-7H3/t19-,20+,21-,22+,23+,24+,25+,27-,28-/m1/s1 |
| InChIKey |
JCCMVJWWRRYPJR-MHTDXFEJSA-N |
| Molecular Weight |
418.706 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(C(C)(C)O[C@@](C1)(O)[H])[H])[H])C |
