| SpectraBase Spectrum ID |
FOnvx7eGtKC |
| Name |
(8S,20R,22R)-des-A,B-22-methyl-cholestane-8.beta.,25-diol |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C19H36O2 |
| InChI |
InChI=1S/C19H36O2/c1-13(10-12-18(3,4)21)14(2)15-8-9-16-17(20)7-6-11-19(15,16)5/h13-17,20-21H,6-12H2,1-5H3/t13-,14-,15-,16+,17+,19-/m1/s1 |
| InChIKey |
KTWQXOUHQIEZPM-WRPWXNSMSA-N |
| Instrument Name |
Micromass AutoSpec |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/jm300187x |
| Molecular Weight |
296.495 g/mol |
| Optical Rotation |
[a]D = +34.0 (c = 1.0, CHCl3) |
| Reported Formula |
C19H36O2 |
| SMILES |
O[C@]1(CCC[C@@]2([C@@]([C@@]([C@@](CCC(O)(C)C)(C)[H])(C)[H])(CC[C@@]12[H])[H])C)[H] |
| SPLASH |
splash10-03di-0930000000-a7697b83815561d3c7ef |
| Source of Spectrum |
AF-55-SM5-21a |
| Wiley ID |
1852048 |
