Spektraris NMR
1,6-Dihydroxy-2-(3-methyl-2-butenyl)-3,7-dimethoxy-8-(2-hydroxy-3-methyl-3-butenyl)-9H-xanthene-9-one
Common Name: 1,6-Dihydroxy-2-(3-methyl-2-butenyl)-3,7-dimethoxy-8-(2-hydroxy-3-methyl-3-butenyl)-9H-xanthene-9-one
Synonyms: 1,6-Dihydroxy-2-(3-methyl-2-butenyl)-3,7-dimethoxy-8-(2-hydroxy-3-methyl-3-butenyl)-9H-xanthene-9-one
CAS Registry Number:
InChI: InChI=1S/C25H28O7/c1-12(2)7-8-14-18(30-5)11-20-22(23(14)28)24(29)21-15(9-16(26)13(3)4)25(31-6)17(27)10-19(21)32-20/h7,10-11,16,26-28H,3,8-9H2,1-2,4-6H3
InChIKey: InChIKey=OHGAQNFIUCKPAY-UHFFFAOYSA-N
Formula: C25H28O7
Molecular Weight: 440.486573
Exact Mass: 440.183503
NMR Solvent: CD3COCD3
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) | 160.5 |
| 2 (C) | 111.9 |
| 3 (C) | 164.7 |
| 4 (CH) | 89.9 |
| 4a (C) | 156.2 |
| 5 (CH) | 103.2 |
| 6 (C) | 157.4 |
| 7 (C) | 145.7 |
| 8 (C) | 134.8 |
| 8a (C) | 112.2 |
| 9 (C) | 183 |
| 9a (C) | 104.2 |
| 10a (C) | 156.2 |
| 1' (CH2) | 30 |
| 2' (CH) | 89.4 |
| 3' (C) | 146.5 |
| 4' (CH2) | 112.6 |
| 5' (CH3) | 17.9 |
| 2a (CH2) | 21.9 |
| 2b (CH) | 123.2 |
| 2c (C) | 131.5 |
| 2d (CH3) | 25.8 |
| 2e (CH3) | 17.8 |
| 3a (CH3) | 56.5 |
| 7a (CH3) | 61 |
