| SpectraBase Spectrum ID |
LiKbZ1vmfs0 |
| Name |
2-Butenoic acid, 3-methyl-4-[tetrahydro-3,4-dihydroxy-5-[[3-(2-hydroxy-1-methylpropyl) oxiranyl]methyl]-2H-pyran-2-yl]-, methyl ester, [2S-[2.alpha.(Z),3.beta.,4.beta.,5.alpha.[2R*,3R*(1R*,2R*)]]]- |
| CAS Registry Number |
66289-99-4 |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H30O7 |
| InChI |
InChI=1S/C18H30O7/c1-9(6-15(20)23-4)5-13-17(22)16(21)12(8-24-13)7-14-18(25-14)10(2)11(3)19/h6,10-14,16-19,21-22H,5,7-8H2,1-4H3/b9-6-/t10-,11?,12+,13-,14?,16-,17+,18?/m0/s1 |
| InChIKey |
PQVWJIKVWONFAJ-SZUNWJLKSA-N |
| Molecular Weight |
358.431 g/mol |
| SMILES |
OC([C@@](C1OC1C[C@@]1(CO[C@]([C@]([C@]1(O)[H])(O)[H])(C\C(=C/C(=O)OC)C)[H])[H])(C)[H])C |
| SPLASH |
splash10-01t9-0090000000-79c32c8549e96b6c461e |
| Source of Spectrum |
KC-1979-311-0 |
| Synonyms |
Methyl (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
Methyl isomonate
Methyl isomonate A |
| Wiley ID |
1346930 |
![2-Butenoic acid, 3-methyl-4-[tetrahydro-3,4-dihydroxy-5-[[3-(2-hydroxy-1-methylpropyl) oxiranyl]methyl]-2H-pyran-2-yl]-, methyl ester, [2S-[2.alpha.(Z),3.beta.,4.beta.,5.alpha.[2R*,3R*(1R*,2R*)]]]-](/api/spectrum/LiKbZ1vmfs0/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]-, methyl ester, [2S-[2.alpha.(Z),3.beta.,4.beta.,5.alpha.[2R*,3R*(1R*,2R*)]]]-")
