Spektraris NMR
Pacovatinins B
Common Name: Pacovatinins B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O4/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/h5,14-17,21-22H,1,6-11H2,2-4H3/b13-5+/t14-,15-,16-,17-,20+/m0/s1
InChIKey: InChIKey=HIWGZSDNWGIXOJ-TVDCSIBBSA-N
Formula: C20H30O4
Molecular Weight: 334.45056
Exact Mass: 334.214409
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) | 36.8 |
| 2 (CH2) | 27.4 |
| 3 (CH) | 78.4 |
| 4 (C) | 38.8 |
| 5 (CH) | 51.7 |
| 6 (CH2) | 32.7 |
| 7 (CH) | 73.2 |
| 8 (C) | 149.5 |
| 9 (CH) | 53.7 |
| 10 (C) | 39.1 |
| 11 (CH2) | 24.9 |
| 12 (CH) | 140.9 |
| 13 (C) | 124.9 |
| 14 (CH2) | 25.3 |
| 15 (CH2) | 65.1 |
| 16 (C) | 170.8 |
| 17 (CH2) | 104.4 |
| 18 (CH3) | 28.2 |
| 19 (CH3) | 15.3 |
| 20 (CH3) | 14.4 |
