Spektraris NMR
Macrocarpal C
Common Name: Macrocarpal C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H38O5/c1-14(2)11-20(21-25(32)17(12-29)24(31)18(13-30)26(21)33)28(6)10-9-16-15(3)7-8-19-23(22(16)28)27(19,4)5/h12-14,16,19-20,22-23,31-33H,3,7-11H2,1-2,4-6H3/t16-,19+,20-,22+,23+,28+/m0/s1
InChIKey: InChIKey=IEWHEHWXBLPFER-HUCVFKCKSA-N
Formula: C28H38O5
Molecular Weight: 454.599378
Exact Mass: 454.271924
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Nishizawa, M., Emura, M., Kan, Y., Yamada, H., Ogawa, K., Hamanaka, N. Tetrahedron Lett (1992) 33, 2983-6
Species:
Notes: Family : Terpenoids, Type : Merosesquiterpenoids, Group : Aromadendranes; 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) | 51 |
| 2 (CH2) | 27.8 |
| 3 (CH2) | 36.4 |
| 4 (C) | 48.9 |
| 5 (CH) | 50.5 |
| 6 (CH) | 27.4 |
| 7 (CH) | 28.1 |
| 8 (CH2) | 25.8 |
| 9 (CH2) | 39.6 |
| 10 (C) | 155.3 |
| 11 (C) | 20.1 |
| 12 (CH3) | 17.1 |
| 13 (CH3) | 28.9 |
| 14 (CH2) | 108.3 |
| 15 (CH3) | 23.5 |
| 1' (C) | 170.8 |
| 2' (C) | 106.6 |
| 3' (C) | 171.3 |
| 4' (C) | 106.5 |
| 5' (C) | 171.3 |
| 6' (C) | 106 |
| 7' (CH) | 192.1 |
| 8' (CH) | 191.9 |
| 9' (CH) | 37.2 |
| 10' (CH2) | 34.9 |
| 11' (CH) | 27.2 |
| 12' (CH3) | 22 |
| 13' (CH3) | 24.7 |
