| SpectraBase Spectrum ID |
IVv24lkN0t7 |
| Name |
3-[{5,7-Dihydroxy-2,2-dimethyl-8-(2-(S)-methylbutanoyl)chroman-6-yl}methyl]-6-ethyl-4-hydroxy-5-methyl-2H-pyran-2-one |
| Appearance |
Reddish oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H32O7 |
| InChI |
InChI=1S/C25H32O7/c1-7-12(3)19(26)18-22(29)15(21(28)14-9-10-25(5,6)32-23(14)18)11-16-20(27)13(4)17(8-2)31-24(16)30/h12,27-29H,7-11H2,1-6H3/t12-/m0/s1 |
| InChIKey |
OXXXYYDLWCRGQG-LBPRGKRZSA-N |
| Instrument Name |
VG Autospec |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np500735f |
| Molecular Weight |
444.524 g/mol |
| Optical Rotation |
[a]D20 = +12 (c = 0.1, CHCl3) |
| Reported Formula |
C25H32O7 |
| SMILES |
Oc1c(c2c(c(c1CC=1C(OC(=C(C1O)C)CC)=O)O)CCC(O2)(C)C)C([C@](CC)(C)[H])=O |
| SPLASH |
splash10-0079-0389400000-58c13e965aa2a70e0092 |
| Source of Spectrum |
G4-78-100-11 |
| Wiley ID |
1865798 |
![3-[{5,7-Dihydroxy-2,2-dimethyl-8-(2-(S)-methylbutanoyl)chroman-6-yl}methyl]-6-ethyl-4-hydroxy-5-methyl-2H-pyran-2-one](/api/spectrum/IVv24lkN0t7/structure.png?h=300&w=458 "3-[{5,7-Dihydroxy-2,2-dimethyl-8-(2-(S)-methylbutanoyl)chroman-6-yl}methyl]-6-ethyl-4-hydroxy-5-methyl-2H-pyran-2-one")
