| SpectraBase Spectrum ID |
BMKAOGmYacu |
| Name |
(2S,4R)-1-{2'-[(3"S,4"R)-4"-Hydroxy-3",5"-dimethylhexyl]-1',3'-dithian-2'-yl}hept-6-ene-2,4-diol |
| Alternate Name(s) |
(2S,4R)-1-{2'-[(3''S,4''R)-4''-Hydroxy-3'',5''-dimethylhexyl]-1',3'-dithian-2'-yl}hept-6-ene-2,4-diol
(2S,4R)-1-{2-[(3S,4R)-4-hydroxy-3,5-dimethylhexyl]-1,3-dithian-2-yl}-6-heptene-2,4-diol |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C19H36O3S2 |
| InChI |
InChI=1S/C19H36O3S2/c1-5-7-16(20)12-17(21)13-19(23-10-6-11-24-19)9-8-15(4)18(22)14(2)3/h5,14-18,20-22H,1,6-13H2,2-4H3/t15-,16+,17-,18+/m0/s1 |
| InChIKey |
XOPBJLDSOOOLNP-XWTMOSNGSA-N |
| Molecular Weight |
376.614 g/mol |
| SMILES |
O[C@@](C[C@@](CC1(SCCCS1)CC[C@@]([C@@](C(C)C)(O)[H])(C)[H])(O)[H])(CC=C)[H] |
| SPLASH |
splash10-014i-0090000000-75bbece0719e4b2cb4ba |
| Source of Spectrum |
KC-1993-1518-73 |
| Wiley ID |
778151 |
![(2S,4R)-1-{2'-[(3"S,4"R)-4"-Hydroxy-3",5"-dimethylhexyl]-1',3'-dithian-2'-yl}hept-6-ene-2,4-diol](/api/spectrum/BMKAOGmYacu/structure.png?h=300&w=458 "(2S,4R)-1-{2'-[(3\"S,4\"R)-4\"-Hydroxy-3\",5\"-dimethylhexyl]-1',3'-dithian-2'-yl}hept-6-ene-2,4-diol")
