| SpectraBase Spectrum ID |
FB3Nwpb4WUs |
| Name |
2-Butenoic acid, 3-methyl-4-[tetrahydro-7-[[3-(2-hydroxy-1-methylpropyl)oxiranyl]methyl]-2-oxo-4H-1,3-dioxolo[4,5-c]pyran-4-yl]-, methyl ester, [3aR-[3a.alpha.,4.alpha.(E),7.alpha.[2S*,3S*(1S*,2S*)],7a.alpha.]]- |
| Alternate Name(s) |
4H-1,3-Dioxolo[4,5-c]pyran, 2-butenoic acid deriv.
Methyl (2E)-4-[(3aR,4R,7R,7aS)-7-{[(2S,3S)-3-[(2S)-3-hydroxybutan-2-yl]oxiran-2-yl]methyl}-2-oxo-hexahydro-[1,3]dioxolo[4,5-c]pyran-4-yl]-3-methylbut-2-enoate |
| CAS Registry Number |
112615-58-4 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C19H28O8 |
| InChI |
InChI=1S/C19H28O8/c1-9(6-15(21)23-4)5-13-18-17(26-19(22)27-18)12(8-24-13)7-14-16(25-14)10(2)11(3)20/h6,10-14,16-18,20H,5,7-8H2,1-4H3/b9-6+/t10-,11?,12+,13+,14-,16-,17-,18+/m0/s1 |
| InChIKey |
XESKTBKNCLNEQY-VSNHHZDFSA-N |
| Molecular Weight |
384.425 g/mol |
| SMILES |
OC([C@@]([C@@]1(O[C@]1(C[C@]1([C@]2([C@@](OC(O2)=O)([H])[C@](OC1)(C\C(=C\C(=O)OC)C)[H])[H])[H])[H])[H])(C)[H])C |
| SPLASH |
splash10-0uxr-0094000000-481836f6336f8b453e67 |
| Source of Spectrum |
F-43-2172-1 |
| Wiley ID |
1361410 |
![2-Butenoic acid, 3-methyl-4-[tetrahydro-7-[[3-(2-hydroxy-1-methylpropyl)oxiranyl]methyl]-2-oxo-4H-1,3-dioxolo[4,5-c]pyran-4-yl]-, methyl ester, [3aR-[3a.alpha.,4.alpha.(E),7.alpha.[2S*,3S*(1S*,2S*)],7a.alpha.]]-](/api/spectrum/FB3Nwpb4WUs/structure.png?h=300&w=458 "2-Butenoic acid, 3-methyl-4-[tetrahydro-7-[[3-(2-hydroxy-1-methylpropyl)oxiranyl]methyl]-2-oxo-4H-1,3-dioxolo[4,5-c]pyran-4-yl]-, methyl ester, [3aR-[3a.alpha.,4.alpha.(E),7.alpha.[2S*,3S*(1S*,2S*)],7a.alpha.]]-")
