Spektraris NMR
7-epi-Rhyacophiline
Common Name: 7-epi-Rhyacophiline
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H20O5/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/h3-7,9,11-12,17,19H,8,10H2,1-2H3/t11-,12-,17-,19-,20-/m1/s1
InChIKey: InChIKey=CTDRGEIVHYZZCA-IKICYEBISA-N
Formula: C20H20O5
Molecular Weight: 340.370558
Exact Mass: 340.131074
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ortega, A., Maldonado, E. Phytochemistry (1994) 35, 1063-4
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) | 130.7 |
| 2 (CH) | 129.6 |
| 3 (CH) | 124.1 |
| 4 (C) | 127.2 |
| 5 (C) | 144 |
| 6 (C) | 142.5 |
| 7 (CH) | 77.3 |
| 8 (CH) | 45.8 |
| 9 (CH3) | 16.6 |
| 10 (C) | 62.3 |
| 11 (CH2) | 41.2 |
| 12 (CH) | 74.3 |
| 13 (C) | 125.6 |
| 14 (CH) | 108.7 |
| 15 (CH) | 143.5 |
| 16 (CH) | 139.5 |
| 17 (CH3) | 11.5 |
| 18 (C) | 170.7 |
| 19 (CH2) | 69.8 |
| 20 (CH) | 110.8 |
