Spektraris NMR
7-Oxoblepharodol
Common Name: 7-Oxoblepharodol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H40O6/c1-16-20-17(14-18(31)21(16)32)28(4)11-13-29(5)19-15-27(3,25(35)36-7)9-8-26(19,2)10-12-30(29,6)24(28)23(34)22(20)33/h14,19,24,31-32H,8-13,15H2,1-7H3/t19-,24+,26-,27-,28+,29+,30-/m1/s1
InChIKey: InChIKey=AXPMRAIDBKMLIQ-SUTDLXDASA-N
Formula: C30H40O6
Molecular Weight: 496.636137
Exact Mass: 496.282489
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) | 107.9 |
| 2 (C) | 150 |
| 3 (C) | 141.4 |
| 4 (C) | 129.1 |
| 5 (C) | 122.8 |
| 6 (C) | 182 |
| 7 (C) | 197 |
| 8 (CH) | 60.3 |
| 9 (C) | 38.7 |
| 10 (C) | 153.6 |
| 11 (CH2) | 33.5 |
| 12 (CH2) | 27.8 |
| 13 (C) | 39.5 |
| 14 (C) | 39.2 |
| 15 (CH2) | 38.7 |
| 16 (CH2) | 35.8 |
| 17 (C) | 30.2 |
| 18 (CH) | 43.6 |
| 19 (CH2) | 30.6 |
| 20 (C) | 40.7 |
| 21 (CH2) | 30.3 |
| 22 (CH2) | 35.8 |
| 23 (CH3) | 13.8 |
| 25 (CH3) | 31.5 |
| 26 (CH3) | 14.7 |
| 27 (CH3) | 16.9 |
| 28 (CH3) | 31.5 |
| 29 (C) | 180 |
| 30 (CH3) | 32.5 |
| 29a (CH3) | 51.8 |
