| SpectraBase Spectrum ID |
Io5fVTKxi7h |
| Name |
2-Butenoic acid, 3-methyl-4-[tetrahydro-3,4-dihydroxy-5-[[3-(2-hydroxy-1-methylpropyl)oxiranyl]methyl]-2H-pyran-2-yl]-, ethyl ester, [2S-[2.alpha.(Z),3.beta.,4.beta.,5.alpha.[2R*,3R*(1R*,2R*)]]]- |
| Alternate Name(s) |
Ethyl (2Z)-4-[(2S,3S,4S,5R)-3,4-dihydroxy-5-({3-[(2S)-3-hydroxybutan-2-yl]oxiran-2-yl}methyl)oxan-2-yl]-3-methylbut-2-enoate
Ethyl isomonate
Ethyl isomonate A
Isomonic acid ethyl ester |
| CAS Registry Number |
66289-98-3 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C19H32O7 |
| InChI |
InChI=1S/C19H32O7/c1-5-24-16(21)7-10(2)6-14-18(23)17(22)13(9-25-14)8-15-19(26-15)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 |
KVSTXNJARPQHCO-QWFDKUFISA-N |
| Molecular Weight |
372.458 g/mol |
| SMILES |
OC([C@@](C1OC1C[C@@]1(CO[C@]([C@]([C@]1(O)[H])(O)[H])(C\C(=C/C(=O)OCC)C)[H])[H])(C)[H])C |
| SPLASH |
splash10-00b9-0090000000-07a5f80835b3ab19834f |
| Source of Spectrum |
KC-1979-311-0 |
| Wiley ID |
1355364 |
![2-Butenoic acid, 3-methyl-4-[tetrahydro-3,4-dihydroxy-5-[[3-(2-hydroxy-1-methylpropyl)oxiranyl]methyl]-2H-pyran-2-yl]-, ethyl ester, [2S-[2.alpha.(Z),3.beta.,4.beta.,5.alpha.[2R*,3R*(1R*,2R*)]]]-](/api/spectrum/Io5fVTKxi7h/structure.png?h=300&w=458 "2-Butenoic acid, 3-methyl-4-[tetrahydro-3,4-dihydroxy-5-[[3-(2-hydroxy-1-methylpropyl)oxiranyl]methyl]-2H-pyran-2-yl]-, ethyl ester, [2S-[2.alpha.(Z),3.beta.,4.beta.,5.alpha.[2R*,3R*(1R*,2R*)]]]-")
