| SpectraBase Spectrum ID |
7zv7Fw9dQGu |
| Name |
(2S)-2,4-Dimethyl-8-{2'-[(R)-4''-(toluenesulfonylmethyl)hexyl]-[1',3']dioxolan-2'-yl}-octan-1-ol |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
482.306595750 u |
| Formula |
C27H46O5S |
| InChI |
InChI=1S/C27H46O5S/c1-5-25(21-33(29,30)26-13-11-22(2)12-14-26)10-8-16-27(31-17-18-32-27)15-7-6-9-23(3)19-24(4)20-28/h11-14,23-25,28H,5-10,15-21H2,1-4H3/t23-,24-,25+/m0/s1 |
| InChIKey |
QAOUQJXMBNUGLE-CCDWMCETSA-N |
| Molecular Weight |
482.720 g/mol |
| SMILES |
C=1(S(C[C@@](CCCC2(OCCO2)CCCC[C@@](C[C@@](CO)(C)[H])(C)[H])(CC)[H])(=O)=O)C=CC(=CC1)C |
![(2S)-2,4-Dimethyl-8-{2'-[(R)-4"-(toluenesulfonylmethyl)hexyl]-[1',3']dioxolan-2'-yl}-octan-1-ol](/api/spectrum/7zv7Fw9dQGu/structure.png?h=300&w=458 "(2S)-2,4-Dimethyl-8-{2'-[(R)-4\"-(toluenesulfonylmethyl)hexyl]-[1',3']dioxolan-2'-yl}-octan-1-ol")
