Spektraris NMR
Pseudopterosin K
Common Name: Pseudopterosin K
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H38O6/c1-11(2)9-16-10-13(4)17-8-7-12(3)18-20(17)19(16)14(5)21(27)25(18)32-26-24(30)23(29)22(28)15(6)31-26/h9,12-13,15-17,22-24,26-30H,7-8,10H2,1-6H3/t12-,13-,15+,16-,17+,22-,23-,24+,26+/m1/s1
InChIKey: InChIKey=KPQRZOMZOFKSLE-BNMYDLKCSA-N
Formula: C26H38O6
Molecular Weight: 446.577312
Exact Mass: 446.266839
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Roussis, V., Wu, Z., Fenical, W., Strobel, S.A., Duyne, G.D.V., Clardy, J. J Org Chem (1990) 55, 4916-22
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) | 35.7 |
| 2 (CH2) | 39.5 |
| 3 (CH) | 30.2 |
| 4 (CH) | 42.8 |
| 5 (CH2) | 27.2 |
| 6 (CH2) | 30.2 |
| 7 (CH) | 28.1 |
| 8 (C) | 133.2 |
| 9 (C) | 142.2 |
| 10 (C) | 145.1 |
| 11 (C) | 121.2 |
| 12 (C) | 135.1 |
| 13 (C) | 130 |
| 14 (CH) | 129.6 |
| 15 (C) | 128.8 |
| 16 (CH3) | 25.6 |
| 17 (CH3) | 17.6 |
| 18 (CH3) | 20.9 |
| 19 (CH3) | 23.8 |
| 20 (CH3) | 10.8 |
| 1' (CH) | 103.4 |
| 2' (CH) | 69.4 |
| 3' (CH) | 70.6 |
| 4' (CH) | 72.4 |
| 5' (CH) | 67.6 |
| 6' (CH3) | 16.2 |
