Spektraris NMR
Macrocarpin B
Common Name: Macrocarpin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H34O7/c1-13-10-17-26(3,23(33)21(13)31)7-9-28(5)18-12-15(29)19-14(25(18,2)6-8-27(17,28)4)11-16(30)22(32)20(19)24(34)35/h11-13,17,23,30,32-33H,6-10H2,1-5H3,(H,34,35)/t13-,17-,23-,25+,26-,27+,28-/m1/s1
InChIKey: InChIKey=YFWQVKBPDWOEPV-SRXUNSAMSA-N
Formula: C28H34O7
Molecular Weight: 482.566425
Exact Mass: 482.230453
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) | 113.7 |
| 2 (C) | 153 |
| 3 (C) | 153.5 |
| 4 (C) | 111.4 |
| 5 (C) | 119.6 |
| 6 (C) | 188 |
| 7 (CH) | 124.5 |
| 8 (C) | 178.3 |
| 9 (C) | 42.6 |
| 10 (C) | 155.5 |
| 11 (CH2) | 34.8 |
| 12 (CH2) | 30.1 |
| 13 (C) | 42.6 |
| 14 (C) | 44.7 |
| 15 (CH2) | 28.2 |
| 16 (CH2) | 29.4 |
| 17 (C) | 45 |
| 18 (CH) | 44.8 |
| 19 (CH2) | 31.9 |
| 20 (CH) | 40.9 |
| 21 (C) | 213.1 |
| 22 (CH) | 76.4 |
| 23 (C) | 173.7 |
| 25 (CH3) | 38 |
| 26 (CH3) | 20.4 |
| 27 (CH3) | 20.2 |
| 28 (CH3) | 25.1 |
| 30 (CH3) | 14.7 |
