Spektraris NMR
Pseudopterosin J
Common Name: Pseudopterosin J
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)23(30)27(20)35-28-25(32)24(31)26(16(6)33-28)34-17(7)29/h10,13-14,16,18-19,24-26,28,30-32H,8-9,11H2,1-7H3/t13-,14+,16+,18+,19-,24+,25+,26-,28+/m1/s1
InChIKey: InChIKey=NCLOUSJJVQDYSE-LKYCALBWSA-N
Formula: C28H40O7
Molecular Weight: 488.61407
Exact Mass: 488.277404
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) | 37.1 |
| 2 (CH2) | 40.1 |
| 3 (CH) | 34.2 |
| 4 (CH) | 44 |
| 5 (CH2) | 27.6 |
| 6 (CH2) | 31.4 |
| 7 (CH) | 28.2 |
| 8 (C) | 132.5 |
| 9 (C) | 142.6 |
| 10 (C) | 145.5 |
| 11 (C) | 121.9 |
| 12 (C) | 135.7 |
| 13 (C) | 130.5 |
| 14 (CH) | 131.3 |
| 15 (C) | 128.4 |
| 16 (CH3) | 25.3 |
| 17 (CH3) | 17.5 |
| 18 (CH3) | 19.9 |
| 19 (CH3) | 24.4 |
| 20 (CH3) | 12.1 |
| 1' (CH) | 103.5 |
| 2' (CH) | 69.5 |
| 3' (CH) | 69 |
| 4' (CH) | 73.8 |
| 5' (CH) | 66.6 |
| 6' (CH3) | 16.3 |
| 4'a (C) | 171.9 |
| 4'b (CH3) | 20.7 |
