Spektraris NMR
Crotonadiol
Common Name: Crotonadiol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H38O4/c1-16(11-14-27-18(3)25)9-10-20-17(2)15-21(28-19(4)26)22-23(5,6)12-8-13-24(20,22)7/h11,20-22H,2,8-10,12-15H2,1,3-7H3/b16-11+/t20-,21-,22-,24+/m0/s1
InChIKey: InChIKey=HRUCEYHLPBZDTE-TZRTWNLFSA-N
Formula: C24H38O4
Molecular Weight: 390.55703
Exact Mass: 390.27701
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) | 39.1 |
| 2 (CH2) | 19 |
| 3 (CH2) | 44.2 |
| 4 (C) | 33.5 |
| 5 (CH) | 57.5 |
| 6 (CH) | 73.2 |
| 7 (CH2) | 43.5 |
| 8 (C) | 144.2 |
| 9 (CH) | 55.2 |
| 10 (C) | 39.6 |
| 11 (CH2) | 21.9 |
| 12 (CH2) | 38.3 |
| 13 (C) | 142.7 |
| 14 (CH) | 118.2 |
| 15 (CH2) | 61.3 |
| 16 (CH3) | 16.5 |
| 17 (CH2) | 109.3 |
| 18 (CH3) | 36.1 |
| 19 (CH3) | 22.4 |
| 20 (CH3) | 16 |
| 6b (C) | 170.1 |
| 6c (CH3) | 21.1 |
| 15b (C) | 171.1 |
| 15c (CH3) | 21.8 |
