Spektraris NMR
Cantleyanone A
Common Name: Cantleyanone A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C34H42O7/c1-18(2)10-12-21-26(35)22(13-11-19(3)4)29-25(27(21)36)28(37)23-16-32(39-9)17-24-31(7,8)41-33(30(32)38,15-14-20(5)6)34(23,24)40-29/h10-11,14,16,24,35-36H,12-13,15,17H2,1-9H3/t24?,32-,33+,34-/m0/s1
InChIKey: InChIKey=AHJPUXAYMBNMGE-HNCXMARSSA-N
Formula: C34H42O7
Molecular Weight: 562.694367
Exact Mass: 562.293054
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) | 160.5 |
| 2 (C) | 106.5 |
| 3 (C) | 163.2 |
| 4 (C) | 107.7 |
| 4a (C) | 156.3 |
| 5 (C) | 84.4 |
| 6 (C) | 202.8 |
| 7 (C) | 85 |
| 8 (CH) | 134.2 |
| 8a (C) | 132.4 |
| 9 (C) | 179.3 |
| 9a (C) | 101.1 |
| 10a (C) | 89.2 |
| 1' (CH2) | 30.5 |
| 2' (CH) | 49.9 |
| 3' (C) | 83.7 |
| 4' (CH3) | 29.3 |
| 5' (CH3) | 30.4 |
| 1'' (CH2) | 21.4 |
| 2'' (CH) | 121.9 |
| 3'' (C) | 134.7 |
| 4'' (CH3) | 18.2 |
| 5'' (CH3) | 26.1 |
| 2a (CH2) | 22.9 |
| 2b (CH) | 121.6 |
| 2c (C) | 135.6 |
| 2d (CH3) | 26 |
| 2e (CH3) | 18.3 |
| 5a (CH2) | 29.1 |
| 5b (CH) | 117.8 |
| 5c (C) | 135.8 |
| 5d (CH3) | 25.8 |
| 5e (CH3) | 17 |
| 7a (CH3) | 54.2 |
