Spektraris NMR
Pseudopterosin N
Common Name: Pseudopterosin N
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H38O7/c1-12(2)9-17-10-14(4)18-8-7-13(3)20-22(18)21(17)15(5)25(23(20)30)34-27-24(31)26(33-16(6)28)19(29)11-32-27/h9,13-14,17-19,24,26-27,29-31H,7-8,10-11H2,1-6H3/t13-,14-,17+,18+,19+,24-,26+,27-/m0/s1
InChIKey: InChIKey=LIGCKFITVVCGPV-MSJSQDLTSA-N
Formula: C27H38O7
Molecular Weight: 474.587452
Exact Mass: 474.261754
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ata, A., Kerr, R.G., Moya, C.E., Jacobs, R.S. Tetrahedron (2003) 59, 4215-22
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Amphilectanes; 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) | 35.2 |
| 2 (CH2) | 39 |
| 3 (CH) | 34.9 |
| 4 (CH) | 43 |
| 5 (CH2) | 28.1 |
| 6 (CH2) | 30 |
| 7 (CH) | 26.9 |
| 8 (C) | 127.5 |
| 9 (C) | 144.7 |
| 10 (C) | 146 |
| 11 (C) | 126.7 |
| 12 (C) | 128 |
| 13 (C) | 134.1 |
| 14 (CH) | 129.8 |
| 15 (C) | 129.2 |
| 16 (CH3) | 25 |
| 17 (CH3) | 16.8 |
| 18 (CH3) | 20 |
| 19 (CH3) | 22.5 |
| 20 (CH3) | 11.1 |
| 1' (CH) | 104.9 |
| 2' (CH) | 68.9 |
| 3' (CH) | 70.6 |
| 4' (CH) | 70.3 |
| 5' (CH2) | 62.9 |
| 3'a (C) | 171.5 |
| 3'b (CH3) | 21 |
