| SpectraBase Spectrum ID |
2y1ZpRkgbe8 |
| Name |
(1S,3R,4R,5R)-3-Acetoxy-1-(2-methyl-1,3-dithian-2-yl)-1,4,5-cyclohexantriol |
| Alternate Name(s) |
(1R,2R,3R,5S)-2,3,5-trihydroxy-5-(2-methyl-1,3-dithian-2-yl)cyclohexyl acetate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H22O5S2 |
| InChI |
InChI=1S/C13H22O5S2/c1-8(14)18-10-7-13(17,6-9(15)11(10)16)12(2)19-4-3-5-20-12/h9-11,15-17H,3-7H2,1-2H3/t9-,10-,11-,13+/m1/s1 |
| InChIKey |
BKHFEOAHDIPPST-UZWSLXQKSA-N |
| Literature Reference DOI |
10.1002/cber.19801130528 |
| Molecular Weight |
322.434 g/mol |
| SMILES |
O[C@@]1(C[C@]([C@@]([C@@](C1)(O)[H])(O)[H])(OC(=O)C)[H])C1(SCCCS1)C |
| SPLASH |
splash10-001i-0900000000-2d40693753195047a66c |
| Source of Spectrum |
K-113-1939-13 |
| Wiley ID |
1792728 |
