| SpectraBase Spectrum ID |
4qEdeeBPAMk |
| Name |
Diethyl (3R,7aR)-3-(4-methoxyphenyl)-1,1-dimethyl-4-(1-phenylvinyl)-3,5,7,7a-tetrahydrocyclopenta[c]pyran-6,6(1H)-dicarboxylate |
| Appearance |
Colourless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
504.251188873 u |
| Formula |
C31H36O6 |
| InChI |
InChI=1S/C31H36O6/c1-7-35-28(32)31(29(33)36-8-2)18-24-25(19-31)30(4,5)37-27(22-14-16-23(34-6)17-15-22)26(24)20(3)21-12-10-9-11-13-21/h9-17,25,27H,3,7-8,18-19H2,1-2,4-6H3/t25-,27-/m1/s1 |
| InChIKey |
AZUNGSBVBJZMKZ-XNMGPUDCSA-N |
| Instrument Name |
Finnigan SSQ or 7000 Thermo Deca XP |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201500181 |
| Molecular Weight |
504.623 g/mol |
| Quality |
93 |
| Reported Formula |
C31H36O6 |
| SMILES |
C(OC(=O)C1(CC=2[C@](C(O[C@@](C2C(=C)C2=CC=CC=C2)(C2=CC=C(C=C2)OC)[H])(C)C)(C1)[H])C(=O)OCC)C |
| SPLASH |
splash10-0fki-0920340000-c8ced2d6af2e872be15a |
| Source of Spectrum |
QE-21-SM12-6k (DOI: 10.1002/chem.201500181) |
| Thin-Layer Chromatography |
0.36 (Hex/EtOAc, 5:1) |
| Wiley ID |
1906444 |
![Diethyl (3R,7aR)-3-(4-methoxyphenyl)-1,1-dimethyl-4-(1-phenylvinyl)-3,5,7,7a-tetrahydrocyclopenta[c]pyran-6,6(1H)-dicarboxylate](/api/spectrum/4qEdeeBPAMk/structure.png?h=300&w=458 "Diethyl (3R,7aR)-3-(4-methoxyphenyl)-1,1-dimethyl-4-(1-phenylvinyl)-3,5,7,7a-tetrahydrocyclopenta[c]pyran-6,6(1H)-dicarboxylate")
