| SpectraBase Spectrum ID |
7p3Dm2qgBag |
| Name |
3.alpha.,12.alpha.-Dihydroxy-23-mercapto-24-nor-5.beta.-cholane |
| Alternate Name(s) |
(1S,2S,5R,7R,10R,11S,14R,15R,16S)-2,15-dimethyl-14-[(2R)-4-sulfanylbutan-2-yl]tetracyclo[8.7.0.0(2,7).0(11,15)]heptadecane-5,16-diol |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C23H40O2S |
| InChI |
InChI=1S/C23H40O2S/c1-14(9-11-26)18-6-7-19-17-5-4-15-12-16(24)8-10-22(15,2)20(17)13-21(25)23(18,19)3/h14-21,24-26H,4-13H2,1-3H3/t14-,15-,16-,17+,18-,19+,20+,21+,22+,23-/m1/s1 |
| InChIKey |
BRIYWDPZHBHLGL-XQNRYLPDSA-N |
| Molecular Weight |
380.631 g/mol |
| SMILES |
O[C@]1(C[C@@]2([C@@]3([C@](CC[C@]2([C@]2([C@]1([C@@]([C@@](CCS)(C)[H])(CC2)[H])C)[H])[H])(C[C@@](CC3)(O)[H])[H])C)[H])[H] |
| SPLASH |
splash10-03di-0009000000-9038826b91ce5fa8cba5 |
| Source of Spectrum |
F-53-13126-10 |
| Wiley ID |
803712 |
