Spektraris NMR
Wightional
Common Name: Wightional
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O5/c1-19-8-2-9-20(12-22,13-23)17(19)6-4-15(11-21)16(19)5-3-14-7-10-25-18(14)24/h7,11,15-17,22-23H,2-6,8-10,12-13H2,1H3/t15-,16-,17+,19+/m1/s1
InChIKey: InChIKey=DNDBWPONLLYRKA-VXNCWWDNSA-N
Formula: C20H30O5
Molecular Weight: 350.449965
Exact Mass: 350.209324
NMR Solvent: CDDl3 + DMSO-d6
MHz:
Calibration:
NMR references: 13C - Joshi, B.S., Hegde, V.R., Kamat, V.N. Phytochemistry (1996) 42, 761-6
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) | 39.8 |
| 2 (CH2) | 17.6 |
| 3 (CH2) | 30.7 |
| 4 (C) | 42.2 |
| 5 (CH) | 52.4 |
| 6 (CH2) | 26.9 |
| 7 (CH2) | 36.5 |
| 8 (CH) | 53.7 |
| 9 (CH) | 50.6 |
| 10 (C) | 38.1 |
| 11 (CH2) | 22.2 |
| 12 (CH2) | 27.2 |
| 13 (C) | 134.2 |
| 14 (CH) | 144.5 |
| 15 (CH2) | 70.2 |
| 16 (C) | 174.5 |
| 17 (CH) | 204.8 |
| 18 (CH2) | 63.8 |
| 19 (CH2) | 73.1 |
| 20 (CH3) | 15 |
