Spektraris NMR
Lycernuic ketone B
Common Name: Lycernuic ketone B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H48O6/c1-27-12-9-22-29(3,14-11-24(35)31(22,5)26(36)37-6)21(27)8-7-19-18(16-27)15-20(33)25-28(19,2)13-10-23(34)30(25,4)17-32/h15,19,21-25,32,34-35H,7-14,16-17H2,1-6H3/t19-,21-,22+,23+,24+,25+,27-,28+,29+,30-,31+/m0/s1
InChIKey: InChIKey=WWVFRAVFOHSRSP-XGQBDARESA-N
Formula: C31H48O6
Molecular Weight: 516.710399
Exact Mass: 516.345089
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Zhang, Z., ElSohly, H.N., Jacob, M.R., Pasco, D.S., Walker, L.A., Clark, A.M. J Nat Prod (2002) 65, 979-85
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Serratanes; 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) | 34.7 |
| 2 (CH2) | 27.8 |
| 3 (CH) | 70.4 |
| 4 (C) | 48.8 |
| 5 (CH) | 49.5 |
| 6 (CH2) | 21 |
| 7 (CH2) | 45.6 |
| 8 (C) | 38.4 |
| 9 (CH) | 62.4 |
| 10 (C) | 39.3 |
| 11 (CH2) | 25.7 |
| 12 (CH2) | 27.1 |
| 13 (CH) | 59.5 |
| 14 (C) | 164.8 |
| 15 (CH) | 129.2 |
| 16 (C) | 202.4 |
| 17 (CH) | 60.6 |
| 18 (C) | 45.1 |
| 19 (CH2) | 32.3 |
| 20 (CH2) | 26.2 |
| 21 (CH) | 70.4 |
| 22 (C) | 44.1 |
| 23 (CH3) | 25.1 |
| 24 (C) | 178.5 |
| 25 (CH3) | 14 |
| 26 (CH3) | 20 |
| 27 (CH2) | 56.4 |
| 28 (CH3) | 16.2 |
| 29 (CH2) | 64.5 |
| 30 (CH3) | 23.4 |
| 24a (CH3) | 51.4 |
