| SpectraBase Spectrum ID |
3kxkMheFLu7 |
| Name |
6-Ethyl-4-hydroxy-5-methyl-3-[2,4,6-trihydroxy-3-isopentyl-5-(2-(S)-methylbutanoyl)benzyl]-2H-pyran-2-one |
| Appearance |
Amber oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H34O7 |
| InChI |
InChI=1S/C25H34O7/c1-7-13(5)20(26)19-23(29)15(10-9-12(3)4)22(28)16(24(19)30)11-17-21(27)14(6)18(8-2)32-25(17)31/h12-13,27-30H,7-11H2,1-6H3/t13-/m0/s1 |
| InChIKey |
NOEAPZHXWWZVID-ZDUSSCGKSA-N |
| Instrument Name |
VG Autospec |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np500735f |
| Molecular Weight |
446.540 g/mol |
| Optical Rotation |
[a]D20 = +8 (c = 0.4, CHCl3) |
| Reported Formula |
C25H34O7 |
| SMILES |
Oc1c(c(c(c(c1CC=1C(OC(=C(C1O)C)CC)=O)O)CCC(C)C)O)C([C@](CC)(C)[H])=O |
| SPLASH |
splash10-05g0-0394200000-aaf099c18a2c58631452 |
| Source of Spectrum |
G4-78-101-16 |
| Wiley ID |
1865803 |
![6-Ethyl-4-hydroxy-5-methyl-3-[2,4,6-trihydroxy-3-isopentyl-5-(2-(S)-methylbutanoyl)benzyl]-2H-pyran-2-one](/api/spectrum/3kxkMheFLu7/structure.png?h=300&w=458 "6-Ethyl-4-hydroxy-5-methyl-3-[2,4,6-trihydroxy-3-isopentyl-5-(2-(S)-methylbutanoyl)benzyl]-2H-pyran-2-one")
