Spektraris NMR
Pacovatinins C
Common Name: Pacovatinins C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O4/c1-12-14(6-5-13-8-10-24-18(13)23)20(4)9-7-17(22)19(2,3)16(20)11-15(12)21/h5,14-16,21H,1,6-11H2,2-4H3/b13-5-/t14-,15-,16-,20+/m0/s1
InChIKey: InChIKey=XDMURUTWTFRCDW-HQQVEHBJSA-N
Formula: C20H28O4
Molecular Weight: 332.434679
Exact Mass: 332.198759
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Sekiguchi, M., Shigemori, H., Ohsaki, A., Kobayashi, J. J Nat Prod (2001) 64, 1102-6
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 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 (CH2) | 36.5 |
| 2 (CH2) | 33.2 |
| 3 (C) | 213 |
| 4 (C) | 38.8 |
| 5 (CH) | 52 |
| 6 (CH2) | 33.7 |
| 7 (CH) | 72.2 |
| 8 (C) | 148.1 |
| 9 (CH) | 52.9 |
| 10 (C) | 38.3 |
| 11 (CH2) | 25.3 |
| 12 (CH) | 139.8 |
| 13 (C) | 125 |
| 14 (CH2) | 26.1 |
| 15 (CH2) | 63.8 |
| 16 (C) | 169.9 |
| 17 (CH2) | 105 |
| 18 (CH3) | 25.5 |
| 19 (CH3) | 20.9 |
| 20 (CH3) | 13.7 |
