| SpectraBase Spectrum ID |
2iNAnNHlWYN |
| Name |
[(9R,10R)-10-(1,5-dimethylhexa-1,4-dienyl)-9-hydroxy-1,5-dithiaspiro[5.5]undecan-9-yl]methyl 4-methylbenzenesulfonate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H36O4S3 |
| InChI |
InChI=1S/C25H36O4S3/c1-19(2)7-5-8-21(4)23-17-25(30-15-6-16-31-25)14-13-24(23,26)18-29-32(27,28)22-11-9-20(3)10-12-22/h7-12,23,26H,5-6,13-18H2,1-4H3/t23-,24+/m1/s1 |
| InChIKey |
NRGWANJXSGJYSM-RPWUZVMVSA-N |
| Instrument Name |
LRMS |
| Ionization Type |
EI |
| Molecular Weight |
496.739 g/mol |
| Optical Rotation |
[a]D23 = +6.1 (c = 1.0, CH2Cl2) |
| Reported Formula |
C25H36O4S3 |
| SMILES |
O[C@@]1(COS(c2ccc(cc2)C)(=O)=O)[C@](CC2(CC1)SCCCS2)(C(=CCC=C(C)C)C)[H] |
| SPLASH |
splash10-052b-0910000000-4955c95b475870557942 |
| Source of Spectrum |
US8299067B2 |
| Thin-Layer Chromatography |
Rf = 0.34 (silica gel, hexanes/EtOAc, 4:1) |
| Wiley ID |
1846849 |
![[(9R,10R)-10-(1,5-dimethylhexa-1,4-dienyl)-9-hydroxy-1,5-dithiaspiro[5.5]undecan-9-yl]methyl 4-methylbenzenesulfonate](/api/spectrum/2iNAnNHlWYN/structure.png?h=300&w=458 "[(9R,10R)-10-(1,5-dimethylhexa-1,4-dienyl)-9-hydroxy-1,5-dithiaspiro[5.5]undecan-9-yl]methyl 4-methylbenzenesulfonate")
