Spektraris NMR
1,7-dihydroxy-6í-methyl-6í-(4-methyl-3-pentenyl)-pyrano(2í,3í:3,2)-xanthone
Common Name: 1,7-dihydroxy-6í-methyl-6í-(4-methyl-3-pentenyl)-pyrano(2í,3í:3,2)-xanthone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H22O5/c1-13(2)5-4-9-23(3)10-8-15-18(28-23)12-19-20(21(15)25)22(26)16-11-14(24)6-7-17(16)27-19/h5-8,10-12,24-25H,4,9H2,1-3H3
InChIKey: InChIKey=MQMZFMIJEQWFAU-UHFFFAOYSA-N
Formula: C23H22O5
Molecular Weight: 378.418647
Exact Mass: 378.146724
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Cruz, F.G., Silva-Neto, J.T.d., Guedes, M.L.S. J Braz Chem Soc (2000) 12, 117-22
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) | 157.5 |
| 2 (C) | 103.4 |
| 3 (C) | 161.2 |
| 4 (CH) | 94.6 |
| 4a (C) | 157.3 |
| 5 (CH) | 118.9 |
| 6 (CH) | 124.1 |
| 7 (C) | 152.8 |
| 8 (CH) | 109 |
| 8a (C) | 120.9 |
| 9 (C) | 180.5 |
| 9a (C) | 104.2 |
| 10a (C) | 150.3 |
| 2a (CH) | 115.9 |
| 2b (CH) | 126.3 |
| 2c (C) | 80.8 |
| 2d (CH2) | 27.2 |
| 2e (CH2) | 41.7 |
| 2f (CH) | 123.7 |
| 2g (C) | 131.9 |
| 2h (CH3) | 25.6 |
| 2i (CH3) | 17.6 |
| 2ca (CH3) | 22.6 |
