Spektraris NMR
2-O-Methoxy-7-oxoblepharodol
Common Name: 2-O-Methoxy-7-oxoblepharodol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H42O6/c1-17-21-18(15-19(36-7)22(17)32)29(4)12-14-30(5)20-16-28(3,26(35)37-8)10-9-27(20,2)11-13-31(30,6)25(29)24(34)23(21)33/h15,20,25,32H,9-14,16H2,1-8H3/t20-,25+,27-,28-,29+,30+,31-/m1/s1
InChIKey: InChIKey=JLEROKHXMKFAIS-ZFWVOADDSA-N
Formula: C31H42O6
Molecular Weight: 510.662754
Exact Mass: 510.298139
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) | 102.5 |
| 2 (C) | 150.5 |
| 3 (C) | 14.2 |
| 4 (C) | 128.9 |
| 5 (C) | 123.7 |
| 6 (C) | 181 |
| 7 (C) | 196.6 |
| 8 (CH) | 60.3 |
| 9 (C) | 38.7 |
| 10 (C) | 152.3 |
| 11 (CH2) | 33.4 |
| 12 (CH2) | 27.8 |
| 13 (C) | 39.2 |
| 14 (C) | 39.4 |
| 15 (CH2) | 38.7 |
| 16 (CH2) | 35.8 |
| 17 (C) | 30.3 |
| 18 (CH) | 43.5 |
| 19 (CH2) | 30.5 |
| 20 (C) | 40.5 |
| 21 (CH2) | 30.2 |
| 22 (CH2) | 35.7 |
| 23 (CH3) | 13.2 |
| 25 (CH3) | 31.6 |
| 26 (CH3) | 14.7 |
| 27 (CH3) | 16.8 |
| 28 (CH3) | 29 |
| 29 (C) | 179.4 |
| 30 (CH3) | 32.4 |
| 2a (CH3) | 55.9 |
| 29a (CH3) | 51.4 |
