Spektraris NMR
7-Hydroxyforbesione
Common Name: 7-Hydroxyforbesione
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H32O7/c1-14(2)7-8-16-18(29)11-19(30)21-22(31)17-12-26(33)13-20-25(5,6)35-27(24(26)32,10-9-15(3)4)28(17,20)34-23(16)21/h7,9,11-12,20,29-30,33H,8,10,13H2,1-6H3/t20?,26-,27+,28-/m0/s1
InChIKey: InChIKey=NMIJDVLYYHJBBQ-QBHWKLCCSA-N
Formula: C28H32O7
Molecular Weight: 480.550544
Exact Mass: 480.214803
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Shadid, K.A., Shaari, K., Abas, F., Israf, D.A., Hamzah, A.S., Syakroni, N., Saha, K., Lajis, N.H. Phytochemistry (2007) 68, 2537-44
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) | 163.4 |
| 2 (CH) | 97.3 |
| 3 (C) | 164.6 |
| 4 (C) | 106.4 |
| 4a (C) | 158.2 |
| 5 (C) | 84.3 |
| 6 (C) | 203.9 |
| 7 (C) | 79.5 |
| 8 (CH) | 137.9 |
| 8a (C) | 131.4 |
| 9 (C) | 179.3 |
| 9a (C) | 101.4 |
| 10a (C) | 89.7 |
| 1' (CH2) | 30.8 |
| 2' (CH) | 50.1 |
| 3' (C) | 84.2 |
| 4' (CH3) | 29.3 |
| 5' (CH3) | 30.4 |
| 1'' (CH2) | 22.3 |
| 2'' (CH) | 121.5 |
| 3'' (C) | 135.3 |
| 4'' (CH3) | 18.2 |
| 5'' (CH3) | 26 |
| 5a (CH2) | 29.1 |
| 5b (CH) | 117.4 |
| 5c (C) | 135.9 |
| 5d (CH3) | 25.7 |
| 5e (CH3) | 17 |
