Spektraris NMR
Lycernuic acid E
Common Name: Lycernuic acid E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O5/c1-25(2)18-10-16-30(35)17-26(3)13-9-20-28(5,15-12-23(32)29(20,6)24(33)34)19(26)7-8-21(30)27(18,4)14-11-22(25)31/h18-23,31-32,35H,7-17H2,1-6H3,(H,33,34)/t18-,19-,20+,21+,22+,23-,26-,27-,28+,29+,30-/m0/s1
InChIKey: InChIKey=KJEMTTTXNNLOSG-AHVWWDOUSA-N
Formula: C30H50O5
Molecular Weight: 490.716139
Exact Mass: 490.365825
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) | 40.1 |
| 2 (CH2) | 30.4 |
| 3 (CH) | 78.9 |
| 4 (C) | 49.8 |
| 5 (CH) | 57.6 |
| 6 (CH2) | 22 |
| 7 (CH2) | 46 |
| 8 (C) | 38.3 |
| 9 (CH) | 60.4 |
| 10 (C) | 39.4 |
| 11 (CH2) | 26.2 |
| 12 (CH2) | 26.8 |
| 13 (CH) | 60.3 |
| 14 (C) | 75.7 |
| 15 (CH2) | 46 |
| 16 (CH2) | 19.6 |
| 17 (CH) | 49.8 |
| 18 (C) | 39.4 |
| 19 (CH2) | 33.8 |
| 20 (CH2) | 26.6 |
| 21 (CH) | 75.5 |
| 22 (C) | 38.6 |
| 23 (CH3) | 25.9 |
| 24 (C) | 183.3 |
| 25 (CH3) | 15.3 |
| 26 (CH3) | 23.1 |
| 27 (CH2) | 63.4 |
| 28 (CH3) | 16.8 |
| 29 (CH3) | 22.9 |
| 30 (CH3) | 29.8 |
