Spektraris NMR
Rubescensin K
Common Name: Rubescensin K
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H39NO4/c1-16-14-29-24-18(16)7-9-20-19(24)8-10-21-25(20,3)12-11-22-26(21,4)15-30-23(31-22)6-5-13-27-17(2)28/h8,18,20-24H,1,5-7,9-15H2,2-4H3,(H,27,28)/t18?,20-,21+,22-,23+,24-,25+,26-/m1/s1
InChIKey: InChIKey=XQWVHKVUIDMQBH-OVXVMTMRSA-N
Formula: C26H39N1O4
Molecular Weight: 429.593186
Exact Mass: 429.287909
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) | 37.9 |
| 2 (CH2) | 24.2 |
| 3 (CH) | 85 |
| 4 (C) | 36.5 |
| 5 (CH) | 45.1 |
| 6 (CH2) | 22.9 |
| 7 (CH) | 128.8 |
| 8 (C) | 135.5 |
| 9 (CH) | 49.4 |
| 10 (C) | 35.1 |
| 11 (CH2) | 23.6 |
| 12 (CH2) | 24.2 |
| 13 (CH) | 45.9 |
| 14 (CH) | 83.5 |
| 15 (C) | 154.6 |
| 16 (CH2) | 69.6 |
| 17 (CH2) | 103.2 |
| 18 (CH2) | 77.9 |
| 19 (CH3) | 13.6 |
| 20 (CH3) | 15.3 |
| 1' (CH) | 102.6 |
| 2' (CH2) | 32.8 |
| 3' (CH2) | 24.7 |
| 4' (CH2) | 39.6 |
| 5' (C) | 169.8 |
| 6' (CH3) | 23.1 |
