Spektraris NMR
18-Deoxyleucopaxillone A
Common Name: 18-Deoxyleucopaxillone A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C34H54O6/c1-20(26(39-21(2)35)19-29(31(6,7)38)40-22(3)36)23-15-16-34(10)27-13-11-24-25(12-14-28(37)30(24,4)5)32(27,8)17-18-33(23,34)9/h11,20,23,25-27,29,38H,12-19H2,1-10H3/t20-,23+,25+,26+,27+,29+,32-,33+,34-/m0/s1
InChIKey: InChIKey=FPMMXOUBTPOZNW-SPYCCOATSA-N
Formula: C34H54O6
Molecular Weight: 558.790251
Exact Mass: 558.392039
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Clericuzio, M., Tabasso, S., Bianco, M.A., Pratesi, G., Beretta, G., Tinelli, S., Zunino, F., Vidari, G. J Nat Prod (2006) 69, 1796-9
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Cucurbitanes; 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) | 25.9 |
| 2 (CH2) | 38.8 |
| 3 (C) | 215.3 |
| 4 (C) | 49.1 |
| 5 (C) | 142.7 |
| 6 (CH) | 120.5 |
| 7 (CH2) | 24.7 |
| 8 (CH) | 47.4 |
| 9 (C) | 46.7 |
| 10 (CH) | 38.7 |
| 11 (CH2) | 32.3 |
| 12 (CH2) | 30.5 |
| 13 (C) | 35.1 |
| 14 (C) | 51.1 |
| 15 (CH2) | 26.3 |
| 16 (CH2) | 34.9 |
| 17 (CH) | 43.4 |
| 18 (CH3) | 15.7 |
| 19 (CH3) | 18.1 |
| 20 (CH) | 38.7 |
| 21 (CH3) | 13.4 |
| 22 (CH) | 72.4 |
| 23 (CH2) | 26.6 |
| 24 (CH) | 75.9 |
| 25 (C) | 72.5 |
| 26 (CH3) | 28.8 |
| 27 (CH3) | 25.3 |
| 28 (CH3) | 27.3 |
| 29 (CH3) | 27.4 |
| 30 (CH3) | 22.8 |
| 22a (C) | 171 |
| 22b (CH3) | 21.5 |
| 24a (C) | 170.9 |
| 24b (CH3) | 21.1 |
