| SpectraBase Spectrum ID |
IIET09DFasd |
| Name |
2,3-Seco-5.beta.-cholestane-2,3-diol |
| CAS Registry Number |
122386-97-4 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H50O2 |
| InChI |
InChI=1S/C27H50O2/c1-19(2)7-6-8-20(3)23-11-12-24-22-10-9-21(14-17-28)26(4,16-18-29)25(22)13-15-27(23,24)5/h19-25,28-29H,6-18H2,1-5H3/t20-,21-,22+,23-,24+,25+,26+,27-/m1/s1 |
| InChIKey |
MYDRWTVVYQCTQX-XWLABEFZSA-N |
| Molecular Weight |
406.695 g/mol |
| SMILES |
OCC[C@]1([C@@](CCO)(CC[C@]2([C@]3([C@](CC[C@]12[H])([C@](CC3)([C@@](CCCC(C)C)(C)[H])[H])C)[H])[H])[H])C |
| SPLASH |
splash10-03di-0009000000-0a4175c06f5790462179 |
| Source of Spectrum |
KC-1990-1243-15 |
| Synonyms |
2,3-Secocholestane-2,3-diol, (5.alpha.)-
2,3-seco-5.alpha.-cholestan-2,3-diol
2-[(3R,3aR,5aS,6S,7R,9aR,9bS)-3-[(1R)-1,5-dimethylhexyl]-6-(2-hydroxyethyl)-3a,6-dimethyldodecahydro-1H-cyclopenta[a]naphthalen-7-yl]ethanol |
| Wiley ID |
1372433 |
