Spektraris NMR
Pseudopterosin S
Common Name: Pseudopterosin S
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H40O7/c1-12(2)10-18-11-14(4)19-9-8-13(3)20-22(19)21(18)15(5)26(24(20)31)35-28-27(34-17(7)29)25(32)23(30)16(6)33-28/h10,13-14,16,18-19,23,25,27-28,30-32H,8-9,11H2,1-7H3/t13-,14-,16-,18+,19+,23+,25+,27-,28-/m0/s1
InChIKey: InChIKey=OIETXBJUGCDDRO-RNGWETRZSA-N
Formula: C28H40O7
Molecular Weight: 488.61407
Exact Mass: 488.277404
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Duque, C., Puyana, M., Narvaez G., Osorno, O., Hara, N., Fujimoto, Y. Tetrahedron (2004) 60, 10627-35
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) | 37.3 |
| 2 (CH2) | 40.1 |
| 3 (CH) | 33.9 |
| 4 (CH) | 44.7 |
| 5 (CH2) | 27.8 |
| 6 (CH2) | 31.9 |
| 7 (CH) | 28.6 |
| 8 (C) | 126.7 |
| 9 (C) | 144.5 |
| 10 (C) | 143 |
| 11 (C) | 127.3 |
| 12 (C) | 136.6 |
| 13 (C) | 129.8 |
| 14 (CH) | 131.2 |
| 15 (C) | 128.4 |
| 16 (CH3) | 25.4 |
| 17 (CH3) | 17.5 |
| 18 (CH3) | 20 |
| 19 (CH3) | 23.1 |
| 20 (CH3) | 13.7 |
| 1' (CH) | 101.3 |
| 2' (CH) | 72.3 |
| 3' (CH) | 68.8 |
| 4' (CH) | 71.4 |
| 5' (CH) | 67.4 |
| 6' (CH3) | 16.1 |
| 2'a (C) | 21 |
| 2'b (CH3) | 170.9 |
