Spektraris NMR
Lycernuic ketone C
Common Name: Lycernuic ketone C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O4/c1-26(2)23(33)10-13-28(4)19-7-8-21-27(3,16-18(19)15-20(32)25(26)28)12-9-22-29(21,5)14-11-24(34)30(22,6)17-31/h15,19,21-25,31,33-34H,7-14,16-17H2,1-6H3/t19-,21-,22+,23+,24+,25-,27-,28+,29+,30+/m0/s1
InChIKey: InChIKey=QLFHDTVFRVKLCZ-ANGLHQKGSA-N
Formula: C30H48O4
Molecular Weight: 472.700853
Exact Mass: 472.35526
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) | 34.4 |
| 2 (CH2) | 27.2 |
| 3 (CH) | 70.3 |
| 4 (C) | 44.6 |
| 5 (CH) | 50.5 |
| 6 (CH2) | 19.9 |
| 7 (CH2) | 46.1 |
| 8 (C) | 38.6 |
| 9 (CH) | 63 |
| 10 (C) | 38.9 |
| 11 (CH2) | 25.5 |
| 12 (CH2) | 27.1 |
| 13 (CH) | 59.4 |
| 14 (C) | 164.1 |
| 15 (CH) | 129.3 |
| 16 (C) | 201.7 |
| 17 (CH) | 59.9 |
| 18 (C) | 45 |
| 19 (CH2) | 32.4 |
| 20 (CH2) | 26.3 |
| 21 (CH) | 76.2 |
| 22 (C) | 37.9 |
| 23 (CH3) | 24 |
| 24 (CH2) | 66.1 |
| 25 (CH3) | 16.9 |
| 26 (CH3) | 20.4 |
| 27 (CH2) | 56.3 |
| 28 (CH3) | 15.5 |
| 29 (CH3) | 22.5 |
| 30 (CH3) | 29.4 |
