Spektraris NMR
Macrocarpal D
Common Name: Macrocarpal D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H40O6/c1-15(2)11-22(23-25(32)19(13-29)24(31)20(14-30)26(23)33)28(6)10-9-18-16(3)7-8-17(12-21(18)28)27(4,5)34/h12-18,22,31-34H,7-11H2,1-6H3/t16-,17?,18-,22-,28-/m0/s1
InChIKey: InChIKey=VUKIJLQDSQXHDI-YSXJIQSGSA-N
Formula: C28H40O6
Molecular Weight: 472.614665
Exact Mass: 472.282489
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 : Guaianes; 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) | 45.6 |
| 2 (CH2) | 28.7 |
| 3 (CH2) | 34.9 |
| 4 (C) | 52 |
| 5 (C) | 151.5 |
| 6 (CH) | 121.3 |
| 7 (CH) | 51.3 |
| 8 (CH2) | 26.5 |
| 9 (CH2) | 34.6 |
| 10 (CH) | 33.4 |
| 11 (C) | 72.1 |
| 12 (CH3) | 27.1 |
| 13 (CH3) | 27.4 |
| 14 (CH3) | 17.7 |
| 15 (CH3) | 26.9 |
| 1' (C) | 171.5 |
| 2' (C) | 106.5 |
| 3' (C) | 171.5 |
| 4' (C) | 106.5 |
| 5' (C) | 171.5 |
| 6' (C) | 106.4 |
| 7' (CH) | 191.2 |
| 8' (CH) | 192.4 |
| 9' (CH) | 39.9 |
| 10' (CH2) | 34.9 |
| 11' (CH) | 26.7 |
| 12' (CH3) | 21.4 |
| 13' (CH3) | 24.4 |
