Spektraris NMR
Lycernuic acid E
Common Name: Lycernuic acid E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C34H54O7/c1-20(35)40-26-13-16-31(6)22(29(26,3)4)12-18-34(39)19-30(5)15-11-24-32(7,23(30)9-10-25(31)34)17-14-27(41-21(2)36)33(24,8)28(37)38/h22-27,39H,9-19H2,1-8H3,(H,37,38)/t22-,23-,24+,25+,26+,27-,30-,31-,32+,33+,34-/m0/s1
InChIKey: InChIKey=ZTKNIOHKWFWGGH-DTQZJXPXSA-N
Formula: C34H54O7
Molecular Weight: 574.789656
Exact Mass: 574.386954
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) | 39.5 |
| 2 (CH2) | 25.2 |
| 3 (CH) | 80.4 |
| 4 (C) | 48.7 |
| 5 (CH) | 57 |
| 6 (CH2) | 23.7 |
| 7 (CH2) | 46 |
| 8 (C) | 38.4 |
| 9 (CH) | 60.6 |
| 10 (C) | 39.2 |
| 11 (CH2) | 26.8 |
| 12 (CH2) | 30.4 |
| 13 (CH) | 59.2 |
| 14 (C) | 75.4 |
| 15 (CH2) | 44.7 |
| 16 (CH2) | 19.3 |
| 17 (CH) | 51.2 |
| 18 (C) | 39 |
| 19 (CH2) | 34.4 |
| 20 (CH2) | 25.7 |
| 21 (CH) | 78.6 |
| 22 (C) | 37.5 |
| 23 (CH3) | 24.5 |
| 24 (C) | 177.1 |
| 25 (CH3) | 15.1 |
| 26 (CH3) | 23.8 |
| 27 (CH2) | 62.2 |
| 28 (CH3) | 16.4 |
| 29 (CH3) | 22.6 |
| 30 (CH3) | 28.7 |
| 3a (C) | 171.3 |
| 3b (CH3) | 21.7 |
| 21a (C) | 170.8 |
| 21b (CH3) | 21.6 |
