Spektraris NMR
Pepluene
Common Name: Pepluene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H38O11/c1-16-12-13-22-14-32(15-41-18(3)34)27(38)24-26(44-29(39)21-10-8-7-9-11-21)17(2)28(42-19(4)35)33(24,40)30(43-20(5)36)31(32,6)23(22)25(16)37/h7-13,17,24,26-28,30,37-38,40H,14-15H2,1-6H3/t17-,24-,26+,27-,28-,30-,31-,32-,33+/m1/s1
InChIKey: InChIKey=NHJOXPKGYLUOSR-WOHZSOGCSA-N
Formula: C33H38O11
Molecular Weight: 610.649487
Exact Mass: 610.241412
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Barile, E., Fattorusso, E., Ialenti, A., Ianaro, A., Lanzotti, V. Bioorg Med Chem Lett (2007) 17, 4196-200
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Pepluanes; 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) | 75.58 |
| 2 (CH) | 38.27 |
| 3 (CH) | 70.95 |
| 4 (CH) | 42.39 |
| 5 (CH) | 69.25 |
| 6 (C) | 50.17 |
| 7 (CH2) | 31.28 |
| 8 (C) | 123.38 |
| 9 (CH) | 114.91 |
| 10 (C) | 122.47 |
| 11 (C) | 151.31 |
| 12 (C) | 148.81 |
| 13 (C) | 55.37 |
| 14 (CH) | 73.15 |
| 15 (C) | 81.99 |
| 16 (CH3) | 10.32 |
| 17 (CH2) | 63.92 |
| 18 (CH) | 130.23 |
| 19 (CH3) | 15.75 |
| 20 (CH3) | 24.21 |
| 1a (C) | 172.21 |
| 1b (CH3) | 20.85 |
| 3a (C) | 166.11 |
| 3b (C) | 129.15 |
| 3c (CH) | 129.25 |
| 3d (CH) | 128.79 |
| 3e (CH) | 133.58 |
| 3f (CH) | 128.79 |
| 3g (CH) | 129.25 |
| 14a (C) | 170.02 |
| 14b (CH3) | 20.55 |
| 17a (C) | 169.8 |
| 17b (CH3) | 20.87 |
