| SpectraBase Spectrum ID |
ALGq9OJlWLS |
| Name |
2-Butenoic acid, 3-methyl-5-[tetrahydro-7'-(2-oxoethyl)spiro[cyclohexane-1,2'-[4H-1,3]dioxolo[4,5-c]pyran]-4'-yl]-, 1,1-dimethylethyl ester, [3'aS-[3'a.alpha.,4'.alpha.(E),7'.alpha., 7'a.alpha.]]- |
| Alternate Name(s) |
Spiro[cyclohexane-1,2'-[4H-1,3]dioxolo[4,5-c]pyran], 2-butenoic acid deriv.
tert-Butyl (2E)-4-[(3aS,4S,7S,7aR)-7-(2-oxoethyl)-tetrahydro-3aH-spiro[[1,3]dioxolo[4,5-c]pyran-2,1'-cyclohexane]-4-yl]-3-methylbut-2-enoate
[2(S)-(2-methyl-3-(tert-butoxycarbonyl)-2(E)-propenyl)-3(S),4(R)-(cyclohexylidenedioxy)tetrahydropyran-5(S)-yl]acetaldehyde |
| CAS Registry Number |
100703-61-5 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H34O6 |
| InChI |
InChI=1S/C22H34O6/c1-15(13-18(24)26-21(2,3)4)12-17-20-19(16(8-11-23)14-25-17)27-22(28-20)9-6-5-7-10-22/h11,13,16-17,19-20H,5-10,12,14H2,1-4H3/b15-13+/t16-,17-,19+,20-/m0/s1 |
| InChIKey |
FMELSKMTSDCXOV-HLFXBNPQSA-N |
| Molecular Weight |
394.508 g/mol |
| SMILES |
[C@]12([C@](OC3(O2)CCCCC3)([C@@](CC=O)(CO[C@]1(C\C(=C\C(OC(C)(C)C)=O)C)[H])[H])[H])[H] |
| SPLASH |
splash10-0a4l-9058000000-e793f2954387b6336e3b |
| Source of Spectrum |
J-53-5919-46 |
| Wiley ID |
1366649 |
![2-Butenoic acid, 3-methyl-5-[tetrahydro-7'-(2-oxoethyl)spiro[cyclohexane-1,2'-[4H-1,3]dioxolo[4,5-c]pyran]-4'-yl]-, 1,1-dimethylethyl ester, [3'aS-[3'a.alpha.,4'.alpha.(E),7'.alpha., 7'a.alpha.]]-](/api/spectrum/ALGq9OJlWLS/structure.png?h=300&w=458 "2-Butenoic acid, 3-methyl-5-[tetrahydro-7'-(2-oxoethyl)spiro[cyclohexane-1,2'-[4H-1,3]dioxolo[4,5-c]pyran]-4'-yl]-, 1,1-dimethylethyl ester, [3'aS-[3'a.alpha.,4'.alpha.(E),7'.alpha., 7'a.alpha.]]-")
