Spektraris NMR
Solicanolide
Common Name: Solicanolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O5/c1-12-10-14(21)16-18(2,3)7-5-8-19(16,4)20(12,24)9-6-13-11-15(22)25-17(13)23/h10-11,16-17,23-24H,5-9H2,1-4H3/t16-,17?,19-,20+/m0/s1
InChIKey: InChIKey=SWRUTHSBWJVLGR-KOQQBVACSA-N
Formula: C20H28O5
Molecular Weight: 348.434084
Exact Mass: 348.193674
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Bradette-Hebert, M.E., Legault, J., Lavoie, S., Pichette, A. Chem Pharm Bull (2008) 56, 82-4
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 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) | 32.6 |
| 2 (CH2) | 19 |
| 3 (CH2) | 43.9 |
| 4 (C) | 33.3 |
| 5 (CH) | 56.8 |
| 6 (C) | 202.9 |
| 7 (CH) | 129.6 |
| 8 (C) | 159.1 |
| 9 (C) | 76.7 |
| 10 (C) | 48.1 |
| 11 (CH2) | 31 |
| 12 (CH2) | 25.4 |
| 13 (C) | 172.8 |
| 14 (CH) | 117.6 |
| 15 (C) | 173.7 |
| 16 (CH) | 101.1 |
| 17 (CH3) | 20.5 |
| 18 (CH3) | 34.3 |
| 19 (CH3) | 22.2 |
| 20 (CH3) | 18.8 |
