Spektraris NMR
Caribaeolin
Common Name: Caribaeolin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H40N2O7/c1-19(2)23-10-11-28(4,35)25-15-26(38-27(34)9-8-22-16-32(6)18-31-22)29(5)12-13-30(36-7,39-29)21(14-24(23)25)17-37-20(3)33/h8-14,16,18-19,23-26,35H,15,17H2,1-7H3/b9-8+,21-14-/t23-,24-,25-,26+,28-,29+,30-/m1/s1
InChIKey: InChIKey=WIUSFZNUZWLLDZ-FJVVZEKHSA-N
Formula: C30H40N2O7
Molecular Weight: 540.649028
Exact Mass: 540.283552
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Cinel, B., Roberge, M., Behrisch, H., Ofwegen, L.v., Castro, C.B., Andersen, R.J. Org Lett (2000) 2, 257-60
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) | 33.4 |
| 2 (CH) | 135.7 |
| 3 (C) | 131.4 |
| 4 (C) | 115.6 |
| 5 (CH) | 130.4 |
| 6 (CH) | 134.6 |
| 7 (C) | 90.2 |
| 8 (CH) | 78.4 |
| 9 (CH2) | 29.2 |
| 10 (CH) | 45.5 |
| 11 (C) | 68.3 |
| 12 (CH) | 137.3 |
| 13 (CH) | 125.7 |
| 14 (CH) | 46.2 |
| 15 (CH2) | 65 |
| 16 (CH3) | 23.8 |
| 17 (CH3) | 24.8 |
| 18 (CH) | 32 |
| 19 (CH3) | 20.9 |
| 20 (CH3) | 21.8 |
| 1' (C) | 165.6 |
| 2' (CH) | 113.6 |
| 3' (CH) | 137.8 |
| 4' (C) | 136.9 |
| 5' (CH) | 124.6 |
| 6' (CH) | 140 |
| 7' (CH3) | 33.1 |
| 4a (CH3) | 49.1 |
| 15a (C) | 169.9 |
| 15b (CH3) | 20.6 |
