Spektraris NMR
6,7-seco-Annonene-6,7_dial
Common Name: 6,7-seco-Annonene-6,7_dial
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O3/c1-15-6-5-7-18(20(15,4)14-22)19(3,16(2)12-21)10-8-17-9-11-23-13-17/h6,9,11-14,16,18H,5,7-8,10H2,1-4H3/t16-,18-,19+,20+/m1/s1
InChIKey: InChIKey=JCKJTQFJVXIPKC-LMCOJAPRSA-N
Formula: C20H28O3
Molecular Weight: 316.435274
Exact Mass: 316.203845
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Silveira, E.R., McChesney, J.D. Phytochemistry (1994) 36, 1457-63
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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) | 20 |
| 2 (CH2) | 27 |
| 3 (CH) | 128.6 |
| 4 (C) | 132.2 |
| 5 (C) | 58.2 |
| 6 (CH) | 205.2 |
| 7 (CH) | 204.9 |
| 8 (CH) | 44.8 |
| 9 (C) | 43.8 |
| 10 (CH) | 53 |
| 11 (CH2) | 36 |
| 12 (CH2) | 21 |
| 13 (C) | 125 |
| 14 (CH) | 110.8 |
| 15 (CH) | 143 |
| 16 (CH) | 138.6 |
| 17 (CH3) | 9.7 |
| 18 (CH3) | 15.2 |
| 19 (CH3) | 22.6 |
| 20 (CH3) | 19.1 |
