Spektraris NMR
Macrocarpal B
Common Name: Macrocarpal B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H40O6/c1-14(2)11-19(20-24(32)15(12-29)23(31)16(13-30)25(20)33)27(5)9-7-18-22(27)21-17(26(21,3)4)8-10-28(18,6)34/h12-14,17-19,21-22,31-34H,7-11H2,1-6H3/t17-,18-,19-,21-,22-,27-,28-/m1/s1
InChIKey: InChIKey=IBLPTYJTKWQCDX-NGLILROZSA-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 : 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) | 58.2 |
| 2 (CH2) | 25.2 |
| 3 (CH2) | 40.3 |
| 4 (C) | 49.8 |
| 5 (CH) | 49.2 |
| 6 (CH) | 30 |
| 7 (CH) | 26.3 |
| 8 (CH2) | 21 |
| 9 (CH2) | 45.2 |
| 10 (C) | 74.5 |
| 11 (C) | 19.3 |
| 12 (CH3) | 20.9 |
| 13 (CH3) | 29.1 |
| 14 (CH3) | 17.3 |
| 15 (CH3) | 18.3 |
| 1' (C) | 171.2 |
| 2' (C) | 106.8 |
| 3' (C) | 171.6 |
| 4' (C) | 106.9 |
| 5' (C) | 171.6 |
| 6' (C) | 109 |
| 7' (CH) | 191.7 |
| 8' (CH) | 192 |
| 9' (CH) | 41.2 |
| 10' (CH2) | 36 |
| 11' (CH) | 27.4 |
| 12' (CH3) | 21.8 |
| 13' (CH3) | 25 |
