Spektraris NMR
Cheilocline G
Common Name: Cheilocline G
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C45H62O4/c1-26(2)29-13-12-27(3)31-23-37-45(10,33(31)22-29)49-34-24-32-30(28(4)38(34)48-37)14-15-35-42(32,7)19-21-44(9)36-25-41(6,39(46)47-11)17-16-40(36,5)18-20-43(35,44)8/h14-15,24,27,29,35-37H,1,12-13,16-23,25H2,2-11H3/t27?,29?,35-,36+,37-,40+,41+,42-,43+,44-,45+/m0/s1
InChIKey: InChIKey=RVCDVYKZKPGMKW-MMZMXHDYSA-N
Formula: C45H62O4
Molecular Weight: 666.973062
Exact Mass: 666.46481
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) | 108.88 |
| 2 (C) | 137.91 |
| 3 (C) | 142.23 |
| 4 (C) | 121.06 |
| 5 (C) | 124.98 |
| 6 (CH) | 124.3 |
| 7 (CH) | 128.79 |
| 8 (CH) | 45.53 |
| 9 (C) | 37.02 |
| 10 (C) | 141.82 |
| 11 (CH2) | 31.91 |
| 12 (CH2) | 30.55 |
| 13 (C) | 38.85 |
| 14 (C) | 38.96 |
| 15 (CH2) | 28.1 |
| 16 (CH2) | 36.22 |
| 17 (C) | 30.36 |
| 18 (CH) | 44.44 |
| 19 (CH2) | 30.99 |
| 20 (C) | 40.49 |
| 21 (CH2) | 29.38 |
| 22 (CH2) | 36.35 |
| 23 (CH3) | 10.89 |
| 25 (CH3) | 22.31 |
| 26 (CH3) | 16.81 |
| 27 (CH3) | 17.39 |
| 28 (CH3) | 31.76 |
| 29 (C) | 179.1 |
| 30 (CH3) | 32.14 |
| 1' (C) | 139.95 |
| 2' (CH2) | 35.96 |
| 3' (CH) | 74.23 |
| 4' (C) | 90.1 |
| 5' (C) | 134.62 |
| 6' (CH2) | 30.02 |
| 7' (CH) | 49.36 |
| 8' (CH2) | 29.93 |
| 9' (CH2) | 39.84 |
| 10' (CH) | 42.61 |
| 11' (C) | 150.71 |
| 12' (CH2) | 108.63 |
| 13' (CH3) | 20.48 |
| 14' (CH3) | 17.09 |
| 15' (CH3) | 13.93 |
| 29a (CH3) | 51.54 |
