| SpectraBase Spectrum ID |
EXiZxQl5YU3 |
| Name |
2-Butenethioic acid, 3-methyl-4-[tetrahydro-3,4-dihydroxy-5-[[3-(2-hydroxy-1-methylpropyl) oxiranyl]methyl]-2H-pyran-2-yl]-, S-ethyl ester, [2S-[2.alpha.(E),3.beta.,4.beta.,5.alpha.[2R*,3R*(1R*,2R*)]]]- |
| CAS Registry Number |
79982-69-7 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C19H32O6S |
| InChI |
InChI=1S/C19H32O6S/c1-5-26-16(21)7-10(2)6-14-18(23)17(22)13(9-24-14)8-15-19(25-15)11(3)12(4)20/h7,11-15,17-20,22-23H,5-6,8-9H2,1-4H3/b10-7+/t11-,12?,13+,14-,15?,17-,18+,19?/m0/s1 |
| InChIKey |
PAJVAMNGMKZJKK-RTBXQVSJSA-N |
| Molecular Weight |
388.519 g/mol |
| SMILES |
OC([C@@](C1OC1C[C@@]1(CO[C@]([C@]([C@]1(O)[H])(O)[H])(C\C(=C\C(=O)SCC)C)[H])[H])(C)[H])C |
| SPLASH |
splash10-03di-9400000000-750d53797953e6cf0d1f |
| Source of Spectrum |
KC-1982-731-0 |
| Synonyms |
(2E)-4-[(2S,3S,4S,5R)-3,4-dihydroxy-5-({3-[(2S)-3-hydroxybutan-2-yl]oxiran-2-yl}methyl)oxan-2-yl]-1-(ethylsulfanyl)-3-methylbut-2-en-1-one
S-ethyl (E)-4-{(2S,3R,4R,5S)-5-[(2S,3S,4S,5S)-2,3-epoxy-5-hydroxy-4-methylhexyl]-3,4-dihydroxytetrahydropyran-2-yl}-3-methylbut-2-enethioate |
| Wiley ID |
1363678 |
![2-Butenethioic acid, 3-methyl-4-[tetrahydro-3,4-dihydroxy-5-[[3-(2-hydroxy-1-methylpropyl) oxiranyl]methyl]-2H-pyran-2-yl]-, S-ethyl ester, [2S-[2.alpha.(E),3.beta.,4.beta.,5.alpha.[2R*,3R*(1R*,2R*)]]]-](/api/spectrum/EXiZxQl5YU3/structure.png?h=300&w=458 "2-Butenethioic acid, 3-methyl-4-[tetrahydro-3,4-dihydroxy-5-[[3-(2-hydroxy-1-methylpropyl) oxiranyl]methyl]-2H-pyran-2-yl]-, S-ethyl ester, [2S-[2.alpha.(E),3.beta.,4.beta.,5.alpha.[2R*,3R*(1R*,2R*)]]]-")
