Spektraris NMR
Pseudopterosin S
Common Name: Pseudopterosin S
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H42O8/c1-13(2)11-20-12-15(4)21-10-9-14(3)22-24(21)23(20)16(5)27(25(22)33)38-30-29(37-19(8)32)26(34)28(17(6)35-30)36-18(7)31/h11,14-15,17,20-21,26,28-30,33-34H,9-10,12H2,1-8H3/t14-,15-,17-,20+,21+,26+,28+,29-,30-/m0/s1
InChIKey: InChIKey=IRMXXWYNDFVXBC-IHYZPWOQSA-N
Formula: C30H42O8
Molecular Weight: 530.650828
Exact Mass: 530.287968
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) | 33.8 |
| 4 (CH) | 44.7 |
| 5 (CH2) | 27.8 |
| 6 (CH2) | 31.9 |
| 7 (CH) | 28.6 |
| 8 (C) | 126.6 |
| 9 (C) | 144.5 |
| 10 (C) | 143 |
| 11 (C) | 127.2 |
| 12 (C) | 129.4 |
| 13 (C) | 136.7 |
| 14 (CH) | 131.1 |
| 15 (C) | 128.4 |
| 16 (CH3) | 25.4 |
| 17 (CH3) | 17.5 |
| 18 (CH3) | 20 |
| 19 (CH3) | 23.1 |
| 20 (CH3) | 13.8 |
| 1' (CH) | 101.4 |
| 2' (CH) | 71.1 |
| 3' (CH) | 67.2 |
| 4' (CH) | 73.6 |
| 5' (CH) | 66.7 |
| 6' (CH3) | 16.3 |
| 2'a (C) | 170.6 |
| 2'b (CH3) | 21 |
| 4'a (C) | 171.2 |
| 4'b (CH3) | 20.8 |
