Spektraris NMR
Rubescensin J
Common Name: Rubescensin J
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O3/c1-12-10-23-18-13(12)4-6-15-14(18)5-7-16-19(15,2)9-8-17(22)20(16,3)11-21/h5,13,15-18,21-22H,1,4,6-11H2,2-3H3/t13?,15-,16+,17-,18-,19+,20-/m1/s1
InChIKey: InChIKey=PSCMUJSYIGILPT-TZLACQLTSA-N
Formula: C20H30O3
Molecular Weight: 318.451155
Exact Mass: 318.219495
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Han, Q.B., Li, R.T., Zhang, J.X., Sun, H.D. Helv Chim Acta (2004) 87, 1007-15
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Abietanes; 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) | 37.5 |
| 2 (CH2) | 28.8 |
| 3 (CH) | 73.1 |
| 4 (C) | 42.7 |
| 5 (CH) | 42.3 |
| 6 (CH2) | 23.5 |
| 7 (CH) | 129.5 |
| 8 (C) | 134.6 |
| 9 (CH) | 49.2 |
| 10 (C) | 34.8 |
| 11 (CH2) | 23.7 |
| 12 (CH2) | 27.5 |
| 13 (CH) | 45.8 |
| 14 (CH) | 83.4 |
| 15 (C) | 154.5 |
| 16 (CH2) | 102.9 |
| 17 (CH2) | 69.4 |
| 18 (CH2) | 67.1 |
| 19 (CH3) | 12.6 |
| 20 (CH3) | 15 |
