| SpectraBase Spectrum ID |
Dp5MBi4tvDc |
| Name |
Cholestan-3-one, 4,4-dimethyl-, cyclic 1,2-ethanediyl acetal, (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/c1-21(2)9-8-10-22(3)24-12-13-25-23-11-14-27-28(4,5)31(32-19-20-33-31)18-17-30(27,7)26(23)15-16-29(24,25)6/h21-27H,8-20H2,1-7H3 |
| InChIKey |
LIWBVHCDXUDJGN-UHFFFAOYSA-N |
| Molecular Weight |
458.771 g/mol |
| SMILES |
C12(C)C3C(C4C(CC3)(C)C(C(CCCC(C)C)C)CC4)CCC2C(C)(C)C2(CC1)OCCO2 |
