| SpectraBase Spectrum ID |
E91udfApLu2 |
| Name |
2-Octen-4-one, 2-methyl-1-[tetrahydro-3,4-dihydroxy-5-[[3-(2-hydroxy-1-methylpropyl) oxiranyl]methyl]-2H-pyran-2-yl]-, [2S-[2.alpha.(Z),3.beta.,4.beta.,5.alpha.[2R*,3R*(1R*,2R*)]]]- |
| Alternate Name(s) |
(2Z)-1-[(2S,3R,4R,5S)-3,4-dihydroxy-5-{[(2S,3S)-3-[(2S,3S)-3-hydroxybutan-2-yl]oxiran-2-yl]methyl}oxan-2-yl]-2-methyloct-2-en-4-one
(Z)-1-(2S,3R,4R,5S)-5-[(2S,3S,4S,5S)-2,3-epoxy-5-hydroxy-4-methylhexyl]-3,4-dihydroxytetrahydropyran-2-yl-2-methyloct-2-en-4-one |
| CAS Registry Number |
79982-70-0 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H36O6 |
| InChI |
InChI=1S/C21H36O6/c1-5-6-7-16(23)8-12(2)9-17-20(25)19(24)15(11-26-17)10-18-21(27-18)13(3)14(4)22/h8,13-15,17-22,24-25H,5-7,9-11H2,1-4H3/b12-8-/t13-,14-,15-,17-,18-,19+,20-,21-/m0/s1 |
| InChIKey |
AJXWTFCXNYMYNC-PTUOZZSOSA-N |
| Molecular Weight |
384.513 g/mol |
| SMILES |
O[C@]([C@@]([C@@]1(O[C@]1(C[C@]1(CO[C@]([C@@]([C@@]1(O)[H])(O)[H])(C\C(=C/C(=O)CCCC)C)[H])[H])[H])[H])(C)[H])(C)[H] |
| SPLASH |
splash10-052r-9020000000-293446d7be20b9a12289 |
| Source of Spectrum |
KC-1982-733-0 |
| Wiley ID |
1361585 |
![2-Octen-4-one, 2-methyl-1-[tetrahydro-3,4-dihydroxy-5-[[3-(2-hydroxy-1-methylpropyl) oxiranyl]methyl]-2H-pyran-2-yl]-, [2S-[2.alpha.(Z),3.beta.,4.beta.,5.alpha.[2R*,3R*(1R*,2R*)]]]-](/api/spectrum/E91udfApLu2/structure.png?h=300&w=458 "2-Octen-4-one, 2-methyl-1-[tetrahydro-3,4-dihydroxy-5-[[3-(2-hydroxy-1-methylpropyl) oxiranyl]methyl]-2H-pyran-2-yl]-, [2S-[2.alpha.(Z),3.beta.,4.beta.,5.alpha.[2R*,3R*(1R*,2R*)]]]-")
