Spektraris NMR
Crotonadiol
Common Name: Crotonadiol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H34O2/c1-14(9-12-21)7-8-16-15(2)13-17(22)18-19(3,4)10-6-11-20(16,18)5/h9,16-18,21-22H,2,6-8,10-13H2,1,3-5H3/b14-9+/t16-,17-,18-,20+/m0/s1
InChIKey: InChIKey=QSQOTWULYOYGRR-UMJMDWPGSA-N
Formula: C20H34O2
Molecular Weight: 306.483513
Exact Mass: 306.25588
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ngadjui, B.T., Folefoc, G.G., Keumedjio, F., Dongo, E., Sondengam, B.L., Connolly, J.D. Phytochemistry (1999) 51, 171-4
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) | 39.3 |
| 2 (CH2) | 19.1 |
| 3 (CH2) | 43.7 |
| 4 (C) | 33.9 |
| 5 (CH) | 60.5 |
| 6 (CH) | 71.7 |
| 7 (CH2) | 49.2 |
| 8 (C) | 145.5 |
| 9 (CH) | 55.5 |
| 10 (C) | 39.4 |
| 11 (CH2) | 22.1 |
| 12 (CH2) | 38.4 |
| 13 (C) | 140.3 |
| 14 (CH) | 123.2 |
| 15 (CH2) | 59.4 |
| 16 (CH3) | 16.3 |
| 17 (CH2) | 108.2 |
| 18 (CH3) | 36.6 |
| 19 (CH3) | 22.4 |
| 20 (CH3) | 16.1 |
