Spektraris NMR
Pseudopterosin W
Common Name: Pseudopterosin W
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H40O8/c1-13(2)10-19-11-15(4)20-9-8-14(3)22-24(20)23(19)16(5)27(25(22)32)37-29-26(33)28(36-18(7)31)21(12-34-29)35-17(6)30/h10,14-15,19-21,26,28-29,32-33H,8-9,11-12H2,1-7H3/t14-,15-,19+,20+,21-,26+,28-,29+/m0/s1
InChIKey: InChIKey=AXXBUCAUNFEVQG-FTGYJMAPSA-N
Formula: C29H40O8
Molecular Weight: 516.624211
Exact Mass: 516.272318
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) | 31.7 |
| 7 (CH) | 28.4 |
| 8 (C) | 127 |
| 9 (C) | 145 |
| 10 (C) | 143 |
| 11 (C) | 127.8 |
| 12 (C) | 129.3 |
| 13 (C) | 136.7 |
| 14 (CH) | 131.3 |
| 15 (C) | 128.2 |
| 16 (CH3) | 25.4 |
| 17 (CH3) | 17.5 |
| 18 (CH3) | 20 |
| 19 (CH3) | 23.3 |
| 20 (CH3) | 13.9 |
| 1' (CH) | 103.1 |
| 2' (CH) | 67.7 |
| 3' (CH) | 70.3 |
| 4' (CH) | 68.8 |
| 5' (CH2) | 61.9 |
| 3'a (C) | 171 |
| 3'b (CH3) | 20.9 |
| 4'a (C) | 170.3 |
| 4'b (CH3) | 20.8 |
