Spektraris NMR
Cantleyanone D
Common Name: Cantleyanone D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H34O8/c1-14(2)8-9-28-25(34)27(35-7)12-17-23(33)22-20(32)11-19(31)16(10-18(30)15(3)4)24(22)36-29(17,28)21(13-27)26(5,6)37-28/h8,11-12,18,21,30-32H,3,9-10,13H2,1-2,4-7H3/t18?,21?,27-,28+,29-/m0/s1
InChIKey: InChIKey=BDRYXDQOEXXIGV-SDZOPPBYSA-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) | 164.2 |
| 2 (CH) | 99 |
| 3 (C) | 167 |
| 4 (C) | 105.1 |
| 4a (C) | 158.6 |
| 5 (C) | 84.3 |
| 6 (C) | 201.9 |
| 7 (C) | 85 |
| 8 (CH) | 134.6 |
| 8a (C) | 132.2 |
| 9 (C) | 179 |
| 9a (C) | 101.2 |
| 10a (C) | 89.6 |
| 1' (CH2) | 30.41 |
| 2' (CH) | 50 |
| 3' (C) | 83.6 |
| 4' (CH3) | 30.3 |
| 5' (CH3) | 29.1 |
| 1'' (CH2) | 28.9 |
| 2'' (CH) | 78.9 |
| 3'' (C) | 146 |
| 4'' (CH2) | 113.8 |
| 5'' (CH3) | 17.1 |
| 5a (CH2) | 29 |
| 5b (CH) | 117.4 |
| 5c (C) | 135.8 |
| 5d (CH3) | 25.7 |
| 5e (CH3) | 16.9 |
| 7a (CH3) | 54.2 |
