Spektraris NMR
Macrocarpin A
Common Name: Macrocarpin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H40O6/c1-26-7-8-27(2,25(35)36-6)15-22(26)30(5)12-10-28(3)18-13-20(33)24(34)17(16-31)23(18)19(32)14-21(28)29(30,4)11-9-26/h13,16,21-22,33-34H,7-12,14-15H2,1-6H3/t21-,22+,26+,27+,28-,29+,30-/m0/s1
InChIKey: InChIKey=CRDQMRNVBQGOTH-ISDJXUMGSA-N
Formula: C30H40O6
Molecular Weight: 496.636137
Exact Mass: 496.282489
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) | 114.6 |
| 2 (C) | 149.5 |
| 3 (C) | 148.7 |
| 4 (C) | 117.8 |
| 5 (C) | 124.4 |
| 6 (C) | 199.5 |
| 7 (CH2) | 36.5 |
| 8 (CH) | 42.7 |
| 9 (C) | 37.2 |
| 10 (C) | 152.4 |
| 11 (CH2) | 32.8 |
| 12 (CH2) | 29.8 |
| 13 (C) | 38.7 |
| 14 (C) | 37.3 |
| 15 (CH2) | 28.4 |
| 16 (CH2) | 36.1 |
| 17 (C) | 30.2 |
| 18 (CH) | 44.5 |
| 19 (CH2) | 30.4 |
| 20 (C) | 40.4 |
| 21 (CH2) | 29.6 |
| 22 (CH2) | 35.87 |
| 23 (CH) | 199 |
| 25 (CH3) | 25.1 |
| 26 (CH3) | 15.2 |
| 27 (CH3) | 16.8 |
| 28 (CH3) | 31.6 |
| 29 (C) | 179 |
| 30 (CH3) | 32.1 |
| 29a (CH3) | 51.5 |
