Spektraris NMR
seco-Pseudopterosin J
Common Name: seco-Pseudopterosin J
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H38O6/c1-13(2)7-6-8-14(3)17-10-9-15(4)20-18(17)11-16(5)24(22(20)28)31-25-23(29)21(27)19(26)12-30-25/h7,11,14-15,17,19,21,23,25-29H,6,8-10,12H2,1-5H3/t14-,15-,17+,19+,21+,23-,25-/m0/s1
InChIKey: InChIKey=FEZCZZKMZMBVOU-PSCZYRQKSA-N
Formula: C25H38O6
Molecular Weight: 434.566576
Exact Mass: 434.266839
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Duque, C., Puyana, M., Castellanos, L., Arias, A., Correa, H., Osorno, O., Asai, T., Hara, N., Fujimoto, Y. Tetrahedron (2006) 62, 4205-13
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Serrulatanes; 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) | 27.1 |
| 2 (CH2) | 27.9 |
| 3 (CH2) | 18.5 |
| 4 (CH) | 39.6 |
| 5 (CH) | 121.2 |
| 6 (C) | 127.9 |
| 7 (C) | 141.9 |
| 8 (C) | 146.5 |
| 9 (C) | 129.2 |
| 10 (C) | 137.1 |
| 11 (CH) | 38.6 |
| 12 (CH2) | 35.7 |
| 13 (CH2) | 26.3 |
| 14 (CH) | 124.9 |
| 15 (C) | 131.2 |
| 16 (CH3) | 25.7 |
| 17 (CH3) | 17.7 |
| 18 (CH3) | 16.4 |
| 19 (CH3) | 17.2 |
| 20 (CH3) | 21 |
| 1' (CH) | 103.7 |
| 2' (CH) | 69.7 |
| 3' (CH) | 69.8 |
| 4' (CH) | 69.3 |
| 5' (CH2) | 63.8 |
