| SpectraBase Spectrum ID |
247fs0FVjJe |
| Name |
(3.alpha.,5.alpha.,7.beta.)-3,4,4-Trimethylcholestan-3,7-diol Methanesulfonate |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C31H56O4S |
| InChI |
InChI=1S/C31H56O4S/c1-20(2)11-10-12-21(3)22-13-14-23-27-24(15-16-29(22,23)6)30(7)17-18-31(8,35-36(9,33)34)28(4,5)26(30)19-25(27)32/h20-27,32H,10-19H2,1-9H3/t21-,22-,23+,24+,25+,26+,27+,29-,30-,31-/m1/s1 |
| InChIKey |
VVEOIMPFHPGIMA-TXTDVOIMSA-N |
| Molecular Weight |
524.845 g/mol |
| SMILES |
O[C@@]1([C@]2([C@@]3(CC[C@@]([C@]3(CC[C@@]2([C@@]2([C@](C(C)(C)[C@@](CC2)(OS(=O)(=O)C)C)(C1)[H])C)[H])C)([C@@](CCCC(C)C)(C)[H])[H])[H])[H])[H] |
| SPLASH |
splash10-0bta-1219700000-4b32f24faf3b239447c1 |
| Source of Spectrum |
J-61-864-2 |
| Synonyms |
(3alpha,5alpha,7beta)-7-hydroxy-3,4,4-trimethylcholestan-3-yl methanesulfonate |
| Wiley ID |
1402606 |
