| SpectraBase Spectrum ID |
5MOOY5r42Gu |
| Name |
4-{[5-(2,3-epoxy-5-hydroxy-4-methylhexyl)-3,4-dihydroxy-tetrahydropyran-2-yl]methyl}-6-(4-methylthiophenyl)-5,6-dihydropyrone |
| CAS Registry Number |
96789-45-6 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H34O7S |
| InChI |
InChI=1S/C25H34O7S/c1-13(14(2)26)25-21(32-25)11-17-12-30-20(24(29)23(17)28)9-15-8-19(31-22(27)10-15)16-4-6-18(33-3)7-5-16/h4-7,10,13-14,17,19-21,23-26,28-29H,8-9,11-12H2,1-3H3 |
| InChIKey |
PDCQVZCXSMQRCX-UHFFFAOYSA-N |
| Molecular Weight |
478.600 g/mol |
| SMILES |
OC(C(C1OC1CC1COC(C(C1O)O)CC1=CC(=O)OC(C1)c1ccc(cc1)SC)C)C |
| SPLASH |
splash10-000f-8900100000-061f0b6207f26051c441 |
| Source of Spectrum |
KC-1985-553-5 |
| Synonyms |
4-[(3,4-dihydroxy-5-{[3-(3-hydroxybutan-2-yl)oxiran-2-yl]methyl}oxan-2-yl)methyl]-6-[4-(methylsulfanyl)phenyl]-5,6-dihydro-2H-pyran-2-one |
| Wiley ID |
1394718 |
![4-{[5-(2,3-epoxy-5-hydroxy-4-methylhexyl)-3,4-dihydroxy-tetrahydropyran-2-yl]methyl}-6-(4-methylthiophenyl)-5,6-dihydropyrone](/api/spectrum/5MOOY5r42Gu/structure.png?h=300&w=458 "4-{[5-(2,3-epoxy-5-hydroxy-4-methylhexyl)-3,4-dihydroxy-tetrahydropyran-2-yl]methyl}-6-(4-methylthiophenyl)-5,6-dihydropyrone")
