Spektraris NMR
Pseudopterosin U
Common Name: Pseudopterosin U
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)26(24(20)30)34-27-25(31)23(29)19(11-32-27)33-16(6)28/h9,13-14,17-19,23,25,27,29-31H,7-8,10-11H2,1-6H3/t13-,14-,17+,18+,19-,23-,25+,27+/m0/s1
InChIKey: InChIKey=GKCBYTVPJRUVKI-ZCMONZRYSA-N
Formula: C27H38O7
Molecular Weight: 474.587452
Exact Mass: 474.261754
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rodriguez, II, Shi, Y.P., Garcia, O.J., Rodriguez, A.D., Mayer, A.M., Sanchez, J.A., Ortega-Barria, E., Gonzalez, J. J Nat Prod (2004) 67, 1672-80
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) | 40.2 |
| 3 (CH) | 33.9 |
| 4 (CH) | 44.7 |
| 5 (CH2) | 27.8 |
| 6 (CH2) | 31.8 |
| 7 (CH) | 28.5 |
| 8 (C) | 127 |
| 9 (C) | 145.2 |
| 10 (C) | 143.1 |
| 11 (C) | 127.8 |
| 12 (C) | 129.3 |
| 13 (C) | 136.8 |
| 14 (CH) | 131.3 |
| 15 (C) | 128.2 |
| 16 (CH3) | 25.4 |
| 17 (CH3) | 17.5 |
| 18 (CH3) | 20.1 |
| 19 (CH3) | 23.4 |
| 20 (CH3) | 13.9 |
| 1' (CH) | 103.1 |
| 2' (CH) | 70 |
| 3' (CH) | 68.2 |
| 4' (CH) | 71.5 |
| 5' (CH2) | 61.9 |
| 4'a (C) | 171.3 |
| 4'b (CH3) | 21.1 |
