Spektraris NMR
Macrocarpin D
Common Name: Macrocarpin D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H38O5/c1-14-11-20-26(4,24(33)21(14)31)8-10-28(6)23-19(30)12-16-15(2)22(32)18(29)13-17(16)25(23,3)7-9-27(20,28)5/h12-14,19-20,23-24,30,32-33H,7-11H2,1-6H3/t14-,19-,20-,23+,24-,25+,26-,27+,28-/m1/s1
InChIKey: InChIKey=XQNCHKOLFLXEDX-GDRWMMEVSA-N
Formula: C28H38O5
Molecular Weight: 454.599378
Exact Mass: 454.271924
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Chavez, H., Rodríguez, G., EstevezBraun, A., Ravelo, A.G., Estévez-Reyes, R., Fernández, J.L., Grávalos, D., González, A.G. Biorg Med Chem Lett (2000) 10, 759
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Celastranes; 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) | 116.82 |
| 2 (C) | 181.36 |
| 3 (C) | 145.73 |
| 4 (C) | 117.72 |
| 5 (C) | 131.17 |
| 6 (CH) | 144.02 |
| 7 (CH) | 69.43 |
| 8 (CH) | 53.05 |
| 9 (C) | 40.47 |
| 10 (C) | 162.21 |
| 11 (CH2) | 31.87 |
| 12 (CH2) | 30.78 |
| 13 (C) | 39.32 |
| 14 (C) | 41.21 |
| 15 (CH2) | 29.19 |
| 16 (CH2) | 29.65 |
| 17 (C) | 44.65 |
| 18 (CH) | 45.51 |
| 19 (CH2) | 31.87 |
| 20 (CH) | 41.31 |
| 21 (C) | 213.85 |
| 22 (CH) | 77.2 |
| 23 (CH3) | 10.46 |
| 25 (CH3) | 27.47 |
| 26 (CH3) | 16.31 |
| 27 (CH3) | 19.29 |
| 28 (CH3) | 25.16 |
| 30 (CH3) | 14.83 |
