Spektraris NMR
1,8-Dihydroxy-3-[(3,7-dimethyl-2,6-octadienyl)oxy]-6-methyl-9H-xanthene-9-one
![1,8-Dihydroxy-3-[(3,7-dimethyl-2,6-octadienyl)oxy]-6-methyl-9H-xanthene-9-one](/nmr/static/nmr/svg/12593.svg)
Common Name: 1,8-Dihydroxy-3-[(3,7-dimethyl-2,6-octadienyl)oxy]-6-methyl-9H-xanthene-9-one
Synonyms: 1,8-Dihydroxy-3-[(3,7-dimethyl-2,6-octadienyl)oxy]-6-methyl-9H-xanthene-9-one
CAS Registry Number:
InChI: InChI=1S/C24H26O5/c1-14(2)6-5-7-15(3)8-9-28-17-12-19(26)23-21(13-17)29-20-11-16(4)10-18(25)22(20)24(23)27/h6,8,10-13,25-26H,5,7,9H2,1-4H3/b15-8+
InChIKey: InChIKey=QVIUVRLKQOTQKE-OVCLIPMQSA-N
Formula: C24H26O5
Molecular Weight: 394.461146
Exact Mass: 394.178024
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Bilia, A.R., Yusuf, A.W., Braca, A., Keita, A., Morelli, I. J Nat Prod (2000) 63, 16-21
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) | 166.4 |
| 2 (CH) | 116 |
| 3 (C) | 142.5 |
| 4 (CH) | 106.7 |
| 4a (C) | 154.6 |
| 5 (CH) | 99.2 |
| 6 (C) | 168.1 |
| 7 (CH) | 100.7 |
| 8 (C) | 167.1 |
| 8a (C) | 103.6 |
| 9 (C) | 182 |
| 9a (C) | 104.3 |
| 10a (C) | 152.8 |
| 3a (CH2) | 66.1 |
| 3b (CH) | 121.6 |
| 3c (C) | 143.2 |
| 3d (CH2) | 39.8 |
| 3e (CH2) | 26.5 |
| 3f (CH) | 124.1 |
| 3g (C) | 132.6 |
| 3h (CH3) | 25.9 |
| 3i (CH3) | 17.6 |
| 3ca (CH3) | 16.6 |
| 6a (CH3) | 22.5 |
