Spektraris NMR
Owanol
Common Name: Owanol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H34O7/c1-16(2)7-6-8-17(3)9-12-20-25-23(14-22(32)29(20)35-5)36-24-13-21(31)19(11-10-18(4)15-30)27(33)26(24)28(25)34/h7,9-10,13-14,30-33H,6,8,11-12,15H2,1-5H3/b17-9+,18-10-
InChIKey: InChIKey=BXFCPUCGPCDZKT-XXGRXQMWSA-N
Formula: C29H34O7
Molecular Weight: 494.577161
Exact Mass: 494.230453
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Moriarity, D.M., Huang, J., Yancey, C.A., Zhang, P., Setzer, W.N., Lawton, R.O., Bates, R.B., Caldera, S. Planta Med (1998) 64, 370-2
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) | 159.9 |
| 2 (C) | 109.3 |
| 3 (C) | 162.2 |
| 4 (CH) | 92.2 |
| 4a (C) | 154.2 |
| 5 (CH) | 101.8 |
| 6 (C) | 156.9 |
| 7 (C) | 143.3 |
| 8 (C) | 136.5 |
| 8a (C) | 109.9 |
| 9 (C) | 181.2 |
| 9a (C) | 101.9 |
| 10a (C) | 154.6 |
| 1' (CH2) | 20.4 |
| 2' (CH) | 123.4 |
| 3' (C) | 135.1 |
| 4' (CH2) | 59.6 |
| 5' (CH3) | 21.1 |
| 1'' (CH2) | 25.6 |
| 2'' (CH) | 123.7 |
| 3'' (C) | 133.8 |
| 4'' (CH3) | 16.1 |
| 5'' (CH2) | 39.3 |
| 6'' (CH2) | 26 |
| 7'' (CH) | 124.1 |
| 8'' (C) | 130.5 |
| 9'' (CH3) | 17.4 |
| 10'' (CH3) | 25.3 |
| 7a (CH3) | 60.1 |
