| SpectraBase Spectrum ID |
EFvLkd3cgD5 |
| Name |
3-[{5,7-Dihydroxy-2,2-dimethyl-8-(2-(S)-methylbutanoyl)-2Hchromen-6-yl}methyl]-6-ethyl-2-methoxy-5-methyl-4H-pyran-4- one |
| Appearance |
Amber oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C26H32O7 |
| InChI |
InChI=1S/C26H32O7/c1-8-13(3)20(27)19-23(30)16(22(29)15-10-11-26(5,6)33-24(15)19)12-17-21(28)14(4)18(9-2)32-25(17)31-7/h10-11,13,29-30H,8-9,12H2,1-7H3/t13-/m0/s1 |
| InChIKey |
MAUOMGIGPCELOL-ZDUSSCGKSA-N |
| Instrument Name |
VG Autospec |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np500735f |
| Molecular Weight |
456.535 g/mol |
| Optical Rotation |
[a]D20 = +9 (c = 0.1, CHCl3) |
| Reported Formula |
C26H32O7 |
| SMILES |
Oc1c(c(c2c(c1C([C@](CC)(C)[H])=O)OC(C=C2)(C)C)O)CC=1C(C(=C(OC1OC)CC)C)=O |
| SPLASH |
splash10-0900-0090100000-1bd7ca2c66afcf00b72b |
| Source of Spectrum |
G4-78-99-9 |
| Wiley ID |
1865807 |
![3-[{5,7-Dihydroxy-2,2-dimethyl-8-(2-(S)-methylbutanoyl)-2Hchromen-6-yl}methyl]-6-ethyl-2-methoxy-5-methyl-4H-pyran-4- one](/api/spectrum/EFvLkd3cgD5/structure.png?h=300&w=458 "3-[{5,7-Dihydroxy-2,2-dimethyl-8-(2-(S)-methylbutanoyl)-2Hchromen-6-yl}methyl]-6-ethyl-2-methoxy-5-methyl-4H-pyran-4- one")
