Spektraris NMR
Cantleyanone B
Common Name: Cantleyanone B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H34O8/c1-14(2)8-9-28-24(32)27(34-7)12-16-22(31)21-17(30)11-18-15(10-20(35-18)25(3,4)33)23(21)36-29(16,28)19(13-27)26(5,6)37-28/h8,11-12,19-20,30,33H,9-10,13H2,1-7H3/t19?,20-,27+,28-,29+/m1/s1
InChIKey: InChIKey=HGIQZTZVSSLLND-DIHOEQPXSA-N
Formula: C29H34O8
Molecular Weight: 510.576566
Exact Mass: 510.225368
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) | 166.3 |
| 2 (CH) | 92.1 |
| 3 (C) | 169.4 |
| 4 (C) | 104.6 |
| 4a (C) | 155.4 |
| 5 (C) | 84.2 |
| 6 (C) | 201.5 |
| 7 (C) | 84.9 |
| 8 (CH) | 134.5 |
| 8a (C) | 132.2 |
| 9 (C) | 178.3 |
| 9a (C) | 101.3 |
| 10a (C) | 89.5 |
| 1' (CH2) | 30.1 |
| 2' (CH) | 49.8 |
| 3' (C) | 84 |
| 4' (CH3) | 29.2 |
| 5' (CH3) | 30.5 |
| 1'' (CH2) | 26.9 |
| 2'' (CH) | 92.1 |
| 3'' (C) | 71.8 |
| 4'' (CH3) | 26.4 |
| 5'' (CH3) | 24.5 |
| 5a (CH2) | 29.2 |
| 5b (CH) | 117.8 |
| 5c (C) | 135.5 |
| 5d (CH3) | 25.8 |
| 5e (CH3) | 17.1 |
| 7a (CH3) | 54.2 |
