| SpectraBase Spectrum ID |
17HSxwEIe6a |
| Name |
(24S)-De-A,B-24,25-dihydroxycholesta-8-one cyclic 24,25-(1-methylethylidene acetal) |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H36O3 |
| InChI |
InChI=1S/C21H36O3/c1-14(9-12-18-19(2,3)24-20(4,5)23-18)15-10-11-16-17(22)8-7-13-21(15,16)6/h14-16,18H,7-13H2,1-6H3/t14-,15-,16+,18+,21-/m1/s1 |
| InChIKey |
FBXSDRJJFQKVFC-FYNPAFEHSA-N |
| Molecular Weight |
336.516 g/mol |
| SMILES |
[C@]12([C@@](CC[C@@]2([C@@](CC[C@@]2(OC(C)(C)OC2(C)C)[H])(C)[H])[H])(C(=O)CCC1)[H])C |
| SPLASH |
splash10-00di-0009000000-42a3277aa08895441944 |
| Source of Spectrum |
QE-8-2751-14 |
| Wiley ID |
1557745 |
