Spektraris NMR
7,17-Sacculatadiene-11,12-olide
Common Name: 7,17-Sacculatadiene-11,12-olide
Synonyms: 7,17-Sacculatadiene-11,12-olide
CAS Registry Number:
InChI: InChI=1S/C20H30O2/c1-14(2)7-5-10-19(3)11-6-12-20(4)16(19)9-8-15-13-22-18(21)17(15)20/h7-8,16-17H,5-6,9-13H2,1-4H3/t16-,17+,19+,20-/m0/s1
InChIKey: InChIKey=RLWQDHRIPBACLZ-CUDHKJQZSA-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) | 38.3 |
| 2 (CH2) | 17.9 |
| 3 (CH2) | 37.7 |
| 4 (C) | 35.4 |
| 5 (CH) | 47.2 |
| 6 (CH2) | 23 |
| 7 (CH) | 121.1 |
| 8 (C) | 129.8 |
| 9 (CH) | 53.8 |
| 10 (C) | 34.4 |
| 11 (C) | 175.3 |
| 12 (CH2) | 69.8 |
| 13 (CH3) | 14.4 |
| 14 (CH3) | 20.3 |
| 15 (CH2) | 44 |
| 16 (CH2) | 21.7 |
| 17 (CH) | 124.8 |
| 18 (C) | 131.2 |
| 19 (CH3) | 25.7 |
| 20 (CH3) | 17.6 |
