Spektraris NMR
Lycernuic acid A
Common Name: Lycernuic acid A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C34H54O8/c1-19(35)41-26-12-15-32(7)23-10-9-21-30(5,18-34(23,40)25(37)17-24(32)29(26,3)4)14-11-22-31(21,6)16-13-27(42-20(2)36)33(22,8)28(38)39/h21-27,37,40H,9-18H2,1-8H3,(H,38,39)/t21-,22+,23+,24-,25-,26+,27-,30-,31+,32+,33+,34+/m0/s1
InChIKey: InChIKey=PCUYHPFKNRRINO-SRLPHFQZSA-N
Formula: C34H54O8
Molecular Weight: 590.789061
Exact Mass: 590.381869
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) | 25.5 |
| 3 (CH) | 81.4 |
| 4 (C) | 49 |
| 5 (CH) | 57.3 |
| 6 (CH2) | 22 |
| 7 (CH2) | 44.7 |
| 8 (C) | 37.3 |
| 9 (CH) | 59.9 |
| 10 (C) | 39 |
| 11 (CH2) | 26.8 |
| 12 (CH2) | 29.3 |
| 13 (CH) | 58.9 |
| 14 (C) | 78.3 |
| 15 (CH) | 76.6 |
| 16 (CH2) | 28 |
| 17 (CH) | 48 |
| 18 (C) | 38.6 |
| 19 (CH2) | 34.4 |
| 20 (CH2) | 23.6 |
| 21 (CH) | 78.4 |
| 22 (C) | 38.3 |
| 23 (CH3) | 25.3 |
| 24 (C) | 179 |
| 25 (CH3) | 15.2 |
| 26 (CH3) | 24 |
| 27 (CH2) | 54.4 |
| 28 (CH3) | 16.3 |
| 29 (CH3) | 22.6 |
| 30 (CH3) | 28.5 |
| 3a (C) | 171.5 |
| 3b (CH3) | 21.8 |
| 21a (C) | 170.8 |
| 21b (CH3) | 21.6 |
