| SpectraBase Spectrum ID |
GgN57jVA0Lq |
| Name |
(8.beta.)-De-A,B-8-Methoxymethyloxy-23,24-dinorcholan-23-yl 4-toluenesulfonate |
| Alternate Name(s) |
(2S)-2-[(1R,3aR,4S,7aR)-4-(methoxymethoxy)-7a-methyloctahydro-1H-inden-1-yl]propyl 4-methylbenzenesulfonate
Toluene-4-sulfonic acid (S)-2-((1R,3aR,4S,7aR)-4-methoxymethoxy-7a-methyl-octahydro-inden-1-yl)-propyl ester |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H34O5S |
| InChI |
InChI=1S/C22H34O5S/c1-16-7-9-18(10-8-16)28(23,24)27-14-17(2)19-11-12-20-21(26-15-25-4)6-5-13-22(19,20)3/h7-10,17,19-21H,5-6,11-15H2,1-4H3/t17-,19-,20+,21+,22-/m1/s1 |
| InChIKey |
GZSYZRNLDHSAGP-MBMVPVEPSA-N |
| Molecular Weight |
410.569 g/mol |
| SMILES |
C(OS(c1ccc(cc1)C)(=O)=O)[C@]([C@@]1([C@@]2([C@@]([C@@](OCOC)(CCC2)[H])([H])CC1)C)[H])(C)[H] |
| SPLASH |
splash10-0002-0319000000-f2d20b790f0c8d4b5e3b |
| Source of Spectrum |
F-49-734-3 |
| Wiley ID |
1373624 |
