Spektraris NMR
Pseudopterosin Q
Common Name: Pseudopterosin Q
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)35-28-25(32)27(34-17(7)29)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=REFOFWBTJBXTFK-CKELVKOMSA-N
Formula: C28H40O7
Molecular Weight: 488.61407
Exact Mass: 488.277404
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) | 40.1 |
| 3 (CH) | 33.9 |
| 4 (CH) | 44.6 |
| 5 (CH2) | 27.8 |
| 6 (CH2) | 31.8 |
| 7 (CH) | 28.4 |
| 8 (C) | 126.9 |
| 9 (C) | 145 |
| 10 (C) | 143 |
| 11 (C) | 127.7 |
| 12 (C) | 129.1 |
| 13 (C) | 136.6 |
| 14 (CH) | 131.4 |
| 15 (C) | 128.2 |
| 16 (CH3) | 25.4 |
| 17 (CH3) | 17.5 |
| 18 (CH3) | 20.1 |
| 19 (CH3) | 23.2 |
| 20 (CH3) | 13.5 |
| 1' (CH) | 102.8 |
| 2' (CH) | 67.6 |
| 3' (CH) | 74.3 |
| 4' (CH) | 70.4 |
| 5' (CH) | 67.1 |
| 6' (CH3) | 16.1 |
| 3'a (C) | 171.7 |
| 3'b (CH3) | 21.1 |
