Spektraris NMR
2,3,6,8-tetrahydroxy-5-(2-methylbut-3-en-2-yl)-1-(3-methylbut-2-en-1-yl)-9H-xanthen-9-one
Common Name: 2,3,6,8-tetrahydroxy-5-(2-methylbut-3-en-2-yl)-1-(3-methylbut-2-en-1-yl)-9H-xanthen-9-one
Synonyms: 2,3,6,8-tetrahydroxy-5-(2-methylbut-3-en-2-yl)-1-(3-methylbut-2-en-1-yl)-9H-xanthen-9-one
CAS Registry Number:
InChI: InChI=1S/C23H24O6/c1-6-23(4,5)19-14(25)9-13(24)18-21(28)17-12(8-7-11(2)3)20(27)15(26)10-16(17)29-22(18)19/h6-7,9-10,24-27H,1,8H2,2-5H3
InChIKey: InChIKey=FUEJTEBWTNXAPG-UHFFFAOYSA-N
Formula: C23H24O6
Molecular Weight: 396.433933
Exact Mass: 396.157289
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Lee, B.W., Gal, S.W., Park, K.M., Park, K.H. J Nat Prod (2005) 68, 456-8
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) | 127.4 |
| 2 (C) | 140 |
| 3 (C) | 150.9 |
| 4 (CH) | 100.6 |
| 4a (C) | 152.9 |
| 5 (C) | 108.9 |
| 6 (C) | 161.8 |
| 7 (CH) | 100 |
| 8 (C) | 161.7 |
| 8a (C) | 104.6 |
| 9 (C) | 183 |
| 9a (C) | 111.1 |
| 10a (C) | 155 |
| 1' (CH2) | 26 |
| 2' (CH) | 121.6 |
| 3' (C) | 135 |
| 4' (CH3) | 18.1 |
| 5' (CH3) | 25.9 |
| 1'' (C) | 40.8 |
| 2'' (CH) | 149.4 |
| 3'' (CH2) | 113.1 |
| 4'' (CH3) | 28.1 |
| 5'' (CH3) | 28.1 |
