Spektraris NMR
seco-Pseudopterosin E
Common Name: seco-Pseudopterosin E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H42O7/c1-14(2)9-8-10-15(3)20-12-11-16(4)22-21(20)13-17(5)26(24(22)31)35-28-27(34-19(7)29)25(32)23(30)18(6)33-28/h9,13,15-16,18,20,23,25,27-28,30-32H,8,10-12H2,1-7H3/t15-,16-,18+,20+,23-,25-,27+,28-/m0/s1
InChIKey: InChIKey=YLRKCBMBJTUMPC-UYZPNGETSA-N
Formula: C28H42O7
Molecular Weight: 490.629951
Exact Mass: 490.293054
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ata, A., Kerr, R.G., Moya, C.E., Jacobs, R.S. Tetrahedron (2003) 59, 4215-22
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) | 26.8 |
| 2 (CH2) | 27.7 |
| 3 (CH2) | 19.6 |
| 4 (CH) | 39.7 |
| 5 (CH) | 123 |
| 6 (C) | 128 |
| 7 (C) | 140.1 |
| 8 (C) | 144.9 |
| 9 (C) | 132.1 |
| 10 (C) | 138.9 |
| 11 (CH) | 40.1 |
| 12 (CH2) | 35.9 |
| 13 (CH2) | 27.1 |
| 14 (CH) | 124.9 |
| 15 (C) | 132.7 |
| 16 (CH3) | 25.4 |
| 17 (CH3) | 17.8 |
| 18 (CH3) | 16.1 |
| 19 (CH3) | 21.9 |
| 20 (CH3) | 16.8 |
| 1' (CH) | 103.8 |
| 2' (CH) | 72.2 |
| 3' (CH) | 67.9 |
| 4' (CH) | 70 |
| 5' (CH) | 67.2 |
| 6' (CH3) | 16.1 |
| 2'a (C) | 170.9 |
| 2'b (CH3) | 21 |
