Spektraris NMR
Dihydrosolidagenone
Common Name: Dihydrosolidagenone
Synonyms: Dihydrosolidagenone
CAS Registry Number:
InChI: InChI=1S/C20H30O3/c1-14-12-16(21)17-18(2,3)8-5-9-19(17,4)20(14,22)10-6-15-7-11-23-13-15/h7,11,13-14,17,22H,5-6,8-10,12H2,1-4H3/t14-,17+,19+,20-/m1/s1
InChIKey: InChIKey=WXYNTLLTMHKJLZ-PEFDPPPMSA-N
Formula: C20H30O3
Molecular Weight: 318.451155
Exact Mass: 318.219495
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ono, M., Sawamura, H., Ito, Y., Mizuki, K., Nohara, T. Phytochemistry (2000) 55, 873-7
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) | 31.6 |
| 2 (CH2) | 18.2 |
| 3 (CH2) | 42.3 |
| 4 (C) | 32.1 |
| 5 (CH) | 57.9 |
| 6 (C) | 211.9 |
| 7 (CH2) | 48 |
| 8 (CH) | 38.8 |
| 9 (C) | 76.6 |
| 10 (C) | 48.2 |
| 11 (CH2) | 34.3 |
| 12 (CH2) | 21.5 |
| 13 (C) | 125 |
| 14 (CH) | 110.7 |
| 15 (CH) | 143.1 |
| 16 (CH) | 138.6 |
| 17 (CH3) | 15.9 |
| 18 (CH3) | 33 |
| 19 (CH3) | 21.9 |
| 20 (CH3) | 18.1 |
