Spektraris NMR
Methylcaribaeorane
Common Name: Methylcaribaeorane
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H38N2O4/c1-18(2)22-10-8-19(3)23-15-25(33-26(31)11-9-21-16-30(6)17-29-21)27(5)12-13-28(32-7,34-27)20(4)14-24(22)23/h8-9,11-14,16-18,22-25H,10,15H2,1-7H3/b11-9+,20-14-/t22-,23+,24-,25+,27+,28-/m1/s1
InChIKey: InChIKey=ZYPMSUOVHPJQDD-ALOGICOVSA-N
Formula: C28H38N2O4
Molecular Weight: 466.61346
Exact Mass: 466.283158
NMR Solvent: C6D6
MHz:
Calibration:
NMR references: 13C - Britton, R., Roberge, M., Berisch, H., Andersen, R.J. Tetrahedron Lett (2001) 42, 2953-6
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Eunicellanes; 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) | 34.6 |
| 2 (CH) | 131.3 |
| 3 (C) | 134 |
| 4 (C) | 117.4 |
| 5 (CH) | 130.1 |
| 6 (CH) | 134.8 |
| 7 (C) | 90.5 |
| 8 (CH) | 82.2 |
| 9 (CH2) | 32.3 |
| 10 (CH) | 39.6 |
| 11 (C) | 134.9 |
| 12 (CH) | 121.6 |
| 13 (CH2) | 24.8 |
| 14 (CH) | 43.3 |
| 15 (CH3) | 22.4 |
| 16 (CH3) | 24.9 |
| 17 (CH3) | 22.3 |
| 18 (CH) | 29.4 |
| 19 (CH3) | 20.8 |
| 20 (CH3) | 22.2 |
| 1' (C) | 167.1 |
| 2' (CH) | 116.5 |
| 3' (CH) | 137.3 |
| 4' (C) | 139.2 |
| 5' (CH) | 122.6 |
| 6' (CH) | 139.2 |
| 4a (CH3) | 49.5 |
| 5'a (CH3) | 31.9 |
