Spektraris NMR
Gibberosin J
Common Name: Gibberosin J
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O3/c1-14-6-5-7-15(2)16-12-20(4,17(16)9-8-14)18(22)10-11-19(3,23)13-21/h6,10-11,16-17,21,23H,2,5,7-9,12-13H2,1,3-4H3/b11-10+,14-6+/t16-,17-,19?,20-/m0/s1
InChIKey: InChIKey=PIHJJPQEXCTUBJ-ORWADTLRSA-N
Formula: C20H30O3
Molecular Weight: 318.451155
Exact Mass: 318.219495
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Chen, S.P., Su, J.H., Ahmed, A.F., Dai, C.F., Wu, Y.C., Sheu, J.H. Chem Pharm Bull (2007) 55, 1471-5
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Xeniaphyllanes; 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 (CH) | 48.5 |
| 2 (CH2) | 30.2 |
| 3 (CH2) | 39.5 |
| 4 (C) | 135.2 |
| 5 (CH) | 124.7 |
| 6 (CH2) | 28.1 |
| 7 (CH2) | 34.7 |
| 8 (C) | 153.6 |
| 9 (CH) | 47.2 |
| 10 (CH2) | 35.6 |
| 11 (C) | 47.1 |
| 12 (C) | 203.9 |
| 13 (CH) | 123.7 |
| 14 (CH) | 149.6 |
| 15 (C) | 73.8 |
| 16 (CH2) | 69.4 |
| 17 (CH3) | 23.9 |
| 18 (CH3) | 17.9 |
| 19 (CH2) | 112.9 |
| 20 (CH3) | 16.4 |
