Spektraris NMR
Pacovatinins A
Common Name: Pacovatinins A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O3/c1-13-15(7-6-14-8-11-23-18(14)22)20(4)10-5-9-19(2,3)17(20)12-16(13)21/h6,15-17,21H,1,5,7-12H2,2-4H3/b14-6+/t15-,16-,17-,20+/m0/s1
InChIKey: InChIKey=NTDYMFJJFRUEDG-LAABLSLUSA-N
Formula: C20H30O3
Molecular Weight: 318.451155
Exact Mass: 318.219495
NMR Solvent: CD3OD
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) | 40.2 |
| 2 (CH2) | 20.4 |
| 3 (CH2) | 43.1 |
| 4 (C) | 34.4 |
| 5 (CH) | 54.1 |
| 6 (CH2) | 34.5 |
| 7 (CH) | 74.2 |
| 8 (C) | 151.6 |
| 9 (CH) | 55.7 |
| 10 (C) | 40.1 |
| 11 (CH2) | 26.2 |
| 12 (CH) | 142.6 |
| 13 (C) | 126.7 |
| 14 (CH2) | 26.1 |
| 15 (CH2) | 67.3 |
| 16 (C) | 173.6 |
| 17 (CH2) | 105 |
| 18 (CH3) | 34 |
| 19 (CH3) | 22.2 |
| 20 (CH3) | 14.9 |
