Spektraris NMR
1-Hydroxy-2-(2-hydroxy-3-methyl-3-butenyl)-3,6,7-trimethoxy-8-(3-methyl-2-butenyl)-9H-xanthene-9-one
Common Name: 1-Hydroxy-2-(2-hydroxy-3-methyl-3-butenyl)-3,6,7-trimethoxy-8-(3-methyl-2-butenyl)-9H-xanthene-9-one
Synonyms: 1-Hydroxy-2-(2-hydroxy-3-methyl-3-butenyl)-3,6,7-trimethoxy-8-(3-methyl-2-butenyl)-9H-xanthene-9-one
CAS Registry Number:
InChI: InChI=1S/C26H30O7/c1-13(2)8-9-15-22-19(12-21(31-6)26(15)32-7)33-20-11-18(30-5)16(10-17(27)14(3)4)24(28)23(20)25(22)29/h8,11-12,17,27-28H,3,9-10H2,1-2,4-7H3
InChIKey: InChIKey=ZIXGZQVFRYTLJJ-UHFFFAOYSA-N
Formula: C26H30O7
Molecular Weight: 454.51319
Exact Mass: 454.199153
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Johns, S.R., Lamberton, J.A., Morton, T.C., Suares, H., Willing, R.I. Aust J Chem (1983) 36, 2537-47
Species:
Notes: Family : Aromatics, Type : Xanthones; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (C) | 160.6 |
| 2 (C) | 108.8 |
| 3 (C) | 163.7 |
| 4 (CH) | 89 |
| 4a (C) | 155.6 |
| 5 (CH) | 98.3 |
| 6 (C) | 158.3 |
| 7 (C) | 144.2 |
| 8 (C) | 137.5 |
| 8a (C) | 112.1 |
| 9 (C) | 182.1 |
| 9a (C) | 104 |
| 10a (C) | 155.5 |
| 1' (CH2) | 29.1 |
| 2' (CH) | 123.1 |
| 3' (C) | 132 |
| 4' (CH3) | 25.9 |
| 5' (CH3) | 18.2 |
| 2a (CH2) | 26.2 |
| 2b (CH) | 75.9 |
| 2c (C) | 147.8 |
| 2d (CH3) | 18.2 |
| 2e (CH2) | 110 |
| 3a (CH3) | 56 |
| 6a (CH3) | 56.1 |
| 7a (CH3) | 61 |
