Spektraris NMR
Sacculatal
Common Name: Sacculatal
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O2/c1-15(2)7-5-10-19(3)11-6-12-20(4)17(14-22)16(13-21)8-9-18(19)20/h7-8,13-14,17-18H,5-6,9-12H2,1-4H3/t17-,18-,19+,20+/m0/s1
InChIKey: InChIKey=CJRSLLMDIKKFIM-VNTMZGSJSA-N
Formula: C20H30O2
Molecular Weight: 302.45175
Exact Mass: 302.22458
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Feld, H., Hertewich, U.M., Zapp, J., Becker, H. Phytochemistry (2005) 66, 1094-9
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Sacculatanes; 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) | 39.3 |
| 2 (CH2) | 17.8 |
| 3 (CH2) | 37.3 |
| 4 (C) | 35.5 |
| 5 (CH) | 46.9 |
| 6 (CH2) | 25 |
| 7 (CH) | 154.1 |
| 8 (C) | 138.3 |
| 9 (CH) | 60.4 |
| 10 (C) | 36.9 |
| 11 (CH) | 201.8 |
| 12 (CH) | 193.1 |
| 13 (CH3) | 15.7 |
| 14 (CH3) | 20.6 |
| 15 (CH2) | 44.1 |
| 16 (CH2) | 21.7 |
| 17 (CH) | 124.5 |
| 18 (C) | 131.5 |
| 19 (CH3) | 25.7 |
| 20 (CH3) | 17.6 |
