Spektraris NMR
1,8-Dihydroxy-3-[(7-methoxy-3,7-dimethyl-2-octenyl)oxy]-6-methyl-9H-xanthene-9-one
![1,8-Dihydroxy-3-[(7-methoxy-3,7-dimethyl-2-octenyl)oxy]-6-methyl-9H-xanthene-9-one](/nmr/static/nmr/svg/12595.svg)
Common Name: 1,8-Dihydroxy-3-[(7-methoxy-3,7-dimethyl-2-octenyl)oxy]-6-methyl-9H-xanthene-9-one
Synonyms: 1,8-Dihydroxy-3-[(7-methoxy-3,7-dimethyl-2-octenyl)oxy]-6-methyl-9H-xanthene-9-one
CAS Registry Number:
InChI: InChI=1S/C25H30O6/c1-15(7-6-9-25(3,4)29-5)8-10-30-17-13-19(27)23-21(14-17)31-20-12-16(2)11-18(26)22(20)24(23)28/h8,11-14,26-27H,6-7,9-10H2,1-5H3/b15-8+
InChIKey: InChIKey=HJDLHXRZQDKQIV-OVCLIPMQSA-N
Formula: C25H30O6
Molecular Weight: 426.50305
Exact Mass: 426.204239
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) | 165.9 |
| 2 (CH) | 114.7 |
| 3 (C) | 141.7 |
| 4 (CH) | 106.8 |
| 4a (C) | 154.6 |
| 5 (CH) | 99.7 |
| 6 (C) | 167.5 |
| 7 (CH) | 100.8 |
| 8 (C) | 166.9 |
| 8a (C) | 103.3 |
| 9 (C) | 182 |
| 9a (C) | 104.6 |
| 10a (C) | 153.3 |
| 3a (CH2) | 66 |
| 3b (CH) | 121.5 |
| 3c (C) | 142.8 |
| 3d (CH2) | 39.9 |
| 3e (CH2) | 22.4 |
| 3f (CH2) | 43.6 |
| 3g (C) | 70.9 |
| 3h (CH3) | 30.2 |
| 3i (CH3) | 29.6 |
| 3ca (CH3) | 16.6 |
| 3ga (CH3) | 58.8 |
| 6a (CH3) | 22.2 |
