Spektraris NMR
Isoblepharodol
Common Name: Isoblepharodol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H42O5/c1-17-18-14-21(32)24-28(4,19(18)15-20(31)23(17)33)11-13-29(5)22-16-27(3,25(34)35-7)9-8-26(22,2)10-12-30(24,29)6/h15,22,24,31,33H,8-14,16H2,1-7H3/t22-,24+,26-,27-,28+,29+,30-/m1/s1
InChIKey: InChIKey=ZZAOQXIGEZKEMH-SAFSCYAJSA-N
Formula: C30H42O5
Molecular Weight: 482.652613
Exact Mass: 482.303224
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rodriguez, F.M., Lopez, M.R., Jimenez, I.A., Moujir, L., Ravelo, A.G., Bazzocchi, I.L. Tetrahedron (2005) 61, 2513-9
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) | 107.8 |
| 2 (C) | 141.7 |
| 3 (C) | 140.4 |
| 4 (C) | 122 |
| 5 (C) | 123.9 |
| 6 (CH2) | 43.9 |
| 7 (C) | 209.8 |
| 8 (CH) | 58.3 |
| 9 (C) | 38.8 |
| 10 (C) | 142.4 |
| 11 (CH2) | 33.7 |
| 12 (CH2) | 29.4 |
| 13 (C) | 39.1 |
| 14 (C) | 38.7 |
| 15 (CH2) | 28.4 |
| 16 (CH2) | 36.1 |
| 17 (C) | 30.3 |
| 18 (CH) | 43.6 |
| 19 (CH2) | 30.6 |
| 20 (C) | 40.6 |
| 21 (CH2) | 29.8 |
| 22 (CH2) | 35.9 |
| 23 (CH3) | 11.5 |
| 25 (CH3) | 27.9 |
| 26 (CH3) | 15.1 |
| 27 (CH3) | 16.8 |
| 28 (CH3) | 31.5 |
| 29 (C) | 179.4 |
| 30 (CH3) | 32.3 |
| 29a (CH3) | 51.6 |
