| SpectraBase Spectrum ID |
S4fQDFRuIF |
| Name |
7-[2-(1,3-benzodioxol-5-yl)vinyl]-2-[2-(2,2-dimethyl-6-methylene-cyclohexyl)ethyl]-2-methyl-pyrano[3,2-c]pyran-5-one |
| Appearance |
Yellow solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
460.224974125 u |
| Formula |
C29H32O5 |
| InChI |
InChI=1S/C29H32O5/c1-19-6-5-13-28(2,3)23(19)12-15-29(4)14-11-22-25(34-29)17-21(33-27(22)30)9-7-20-8-10-24-26(16-20)32-18-31-24/h7-11,14,16-17,23H,1,5-6,12-13,15,18H2,2-4H3 |
| InChIKey |
SHWSFQAPSWRABO-UHFFFAOYSA-N |
| Instrument Name |
Finnigan MAT 8200 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201503403 |
| Molecular Weight |
460.570 g/mol |
| Quality |
170 |
| SMILES |
C1=CC2=C(OC1(CCC1C(CCCC1(C)C)=C)C)C=C(OC2=O)C=CC1=CC2=C(C=C1)OCO2 |
| SPLASH |
splash10-0a4i-0109400000-0b331788f037f9b7842f |
| Sample Comments |
Mixture of diastereomers (1:1) |
| Source of Spectrum |
QE-22-SM19-25 (DOI: 10.1002/chem.201503403) |
| Wiley ID |
1902910 |
![7-[2-(1,3-benzodioxol-5-yl)vinyl]-2-[2-(2,2-dimethyl-6-methylene-cyclohexyl)ethyl]-2-methyl-pyrano[3,2-c]pyran-5-one](/api/spectrum/S4fQDFRuIF/structure.png?h=300&w=458 "7-[2-(1,3-benzodioxol-5-yl)vinyl]-2-[2-(2,2-dimethyl-6-methylene-cyclohexyl)ethyl]-2-methyl-pyrano[3,2-c]pyran-5-one")
