Spektraris NMR
(4R,5S,8R,9R,10S,13S)-ent-17-Hydroxy-16-oxobeyeran-19-al
Common Name: (4R,5S,8R,9R,10S,13S)-ent-17-Hydroxy-16-oxobeyeran-19-al
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O3/c1-17(12-21)6-3-7-18(2)14(17)4-8-19-10-16(23)20(11-19,13-22)9-5-15(18)19/h12,14-15,22H,3-11,13H2,1-2H3/t14-,15+,17+,18-,19+,20+/m1/s1
InChIKey: InChIKey=UMVIJKMALQMIIB-MPDWGWIWSA-N
Formula: C20H30O3
Molecular Weight: 318.451155
Exact Mass: 318.219495
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Han, L., Huang, X., Sattler, I., Dahse, H.M., Fu, H., Lin, W., Grabley, S. J Nat Prod (2004) 67, 1620-3
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Beyeranes; 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) | 38.9 |
| 2 (CH2) | 18.1 |
| 3 (CH2) | 34.2 |
| 4 (C) | 48.2 |
| 5 (CH) | 56.6 |
| 6 (CH2) | 19.7 |
| 7 (CH2) | 41.2 |
| 8 (C) | 39.5 |
| 9 (CH) | 54.9 |
| 10 (C) | 37.9 |
| 11 (CH2) | 19.9 |
| 12 (CH2) | 31.9 |
| 13 (C) | 54.1 |
| 14 (CH2) | 48.9 |
| 15 (CH2) | 49.1 |
| 16 (C) | 222.5 |
| 17 (CH2) | 64.9 |
| 18 (CH3) | 24.3 |
| 19 (CH) | 205.4 |
| 20 (CH3) | 14.1 |
