Spektraris NMR
Macrocarpal K
Common Name: Macrocarpal K
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H40O6/c1-15(2)11-18(23-25(32)19(13-29)24(31)20(14-30)26(23)33)21-8-7-16(3)22-12-17(27(4,5)34)9-10-28(21,22)6/h13-15,17-18,21-22,31-34H,3,7-12H2,1-2,4-6H3/t17-,18?,21+,22+,28+/m0/s1
InChIKey: InChIKey=OOAOETHJYYAVCC-BSXRDHGHSA-N
Formula: C28H40O6
Molecular Weight: 472.614665
Exact Mass: 472.282489
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Singh, I.P., Umehara, K., Etoh, H. Nat. Prod. Lett. (1999) 14, 11-5
Species:
Notes: Family : Terpenoids, Type : Merosesquiterpenoids, Group : Eudesmanes; 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 (CH) | 54.4 |
| 2 (CH2) | 28.4 |
| 3 (CH2) | 37.9 |
| 4 (C) | 151.8 |
| 5 (CH) | 51.6 |
| 6 (CH2) | 26 |
| 7 (CH) | 49.7 |
| 8 (CH2) | 23.5 |
| 9 (CH2) | 39.7 |
| 10 (C) | 41.3 |
| 11 (C) | 71.5 |
| 12 (CH3) | 27.4 |
| 13 (CH3) | 28.1 |
| 14 (CH3) | 12.7 |
| 15 (CH2) | 105.4 |
| 1' (C) | 170.5 |
| 2' (C) | 108.4 |
| 3' (C) | 172.1 |
| 4' (C) | 106.8 |
| 5' (C) | 173.4 |
| 6' (C) | 107 |
| 7' (CH) | 192.3 |
| 8' (CH) | 192.1 |
| 9' (CH) | 44.5 |
| 10' (CH2) | 31.9 |
| 11' (CH) | 27.4 |
| 12' (CH3) | 21.9 |
| 13' (CH3) | 24.6 |
