Spektraris NMR
5,6-secoclerodane, 7,8-didehydrorhyacophiline
Common Name: 5,6-secoclerodane, 7,8-didehydrorhyacophiline
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H18O5/c1-11-12(2)24-19-20(11,8-17(25-19)13-6-7-22-9-13)16-5-3-4-14-15(16)10-23-18(14)21/h3-7,9,17,19H,8,10H2,1-2H3/t17-,19-,20-/m1/s1
InChIKey: InChIKey=FUPUQSZZDHDWSR-MISYRCLQSA-N
Formula: C20H18O5
Molecular Weight: 338.354676
Exact Mass: 338.115424
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Nieto, M., Gallardo, O., Rossomando, P.C., Tonn, C.E. J Nat Prod (1996) 59, 880-2
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 (CH) | 129.4 |
| 2 (CH) | 131.4 |
| 3 (CH) | 124.7 |
| 4 (C) | 126 |
| 5 (C) | 149.7 |
| 6 (CH3) | 11.4 |
| 7 (C) | 136.8 |
| 8 (C) | 103.5 |
| 9 (C) | 65.5 |
| 10 (C) | 145.5 |
| 11 (CH2) | 39.8 |
| 12 (CH) | 73.5 |
| 13 (C) | 123.7 |
| 14 (CH) | 108.5 |
| 15 (CH) | 143.6 |
| 16 (CH) | 140 |
| 17 (CH3) | 8.1 |
| 18 (C) | 170.9 |
| 19 (CH2) | 69 |
| 20 (CH) | 110.2 |
