Spektraris NMR
Cheilocline F
Common Name: Cheilocline F
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C45H60O5/c1-26(2)30-13-12-27(3)44-15-14-28(4)45(44,24-30)49-33-22-31-36(29(5)37(33)50-44)32(46)23-34-41(31,8)19-21-43(10)35-25-40(7,38(47)48-11)17-16-39(35,6)18-20-42(34,43)9/h14,22-23,27,30,35H,1,12-13,15-21,24-25H2,2-11H3/t27?,30?,35-,39-,40-,41+,42-,43+,44+,45+/m1/s1
InChIKey: InChIKey=UROQTQHUKJHSIA-YBWSGCMFSA-N
Formula: C45H60O5
Molecular Weight: 680.956585
Exact Mass: 680.444075
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Mesa-Siverio, D., Chavez, H., Estevez-Braun, A., Ravelo, A.G. Tetrahedron (2005) 61, 429-36
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Celastranes; 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 (CH) | 111.4 |
| 2 (C) | 149.6 |
| 3 (C) | 143.2 |
| 4 (C) | 126 |
| 5 (C) | 124.1 |
| 6 (C) | 187.7 |
| 7 (CH) | 126.1 |
| 8 (C) | 171.2 |
| 9 (C) | 40.05 |
| 10 (C) | 151.7 |
| 11 (CH2) | 34.12 |
| 12 (CH2) | 28.5 |
| 13 (C) | 38.99 |
| 14 (C) | 44.6 |
| 15 (CH2) | 29.82 |
| 16 (CH2) | 35.38 |
| 17 (C) | 30.5 |
| 18 (CH) | 44.29 |
| 19 (CH2) | 30.85 |
| 20 (C) | 40.41 |
| 21 (CH2) | 29.87 |
| 22 (CH2) | 36.39 |
| 23 (CH3) | 13.1 |
| 25 (CH3) | 37.7 |
| 26 (CH3) | 20.78 |
| 27 (CH3) | 18.27 |
| 28 (CH3) | 31.57 |
| 29 (C) | 178.8 |
| 30 (CH3) | 32.74 |
| 1' (C) | 92.7 |
| 2' (C) | 38.38 |
| 3' (CH) | 128.1 |
| 4' (CH2) | 140.6 |
| 5' (C) | 96.8 |
| 6' (CH) | 39.13 |
| 7' (CH2) | 43.28 |
| 8' (CH2) | 34.8 |
| 9' (CH) | 32.97 |
| 10' (CH2) | 39.35 |
| 11' (C) | 150.8 |
| 12' (CH2) | 108.8 |
| 13' (CH3) | 19.97 |
| 14' (CH3) | 19.08 |
| 15' (CH3) | 12.4 |
| 29a (CH3) | 51.49 |
