Spektraris NMR
Paluolol
Common Name: Paluolol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H38O4/c1-16(9-10-20(26)19-15-22(27)29-23(19)28)11-13-24(4)18(3)12-14-25(5)17(2)7-6-8-21(24)25/h9,15,18,20-21,23,26,28H,2,6-8,10-14H2,1,3-5H3/b16-9+/t18-,20-,21-,23?,24+,25+/m1/s1
InChIKey: InChIKey=BSFHWMNYTJRBTJ-BZVOLWJWSA-N
Formula: C25H38O4
Molecular Weight: 402.567766
Exact Mass: 402.27701
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Schmidt, E.W., Faulkner, D.J. Tetrahedron Lett (1996) 37, 3951-4
Species:
Notes: Family : Terpenoids, Type : Sesterterpenoids, Group : Bicarbocyclics; 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 (CH2) | 22.9 |
| 2 (CH2) | 29.9 |
| 3 (CH2) | 34.2 |
| 4 (C) | 160 |
| 5 (C) | 41.2 |
| 6 (CH2) | 38.7 |
| 7 (CH2) | 28.6 |
| 8 (CH) | 38 |
| 9 (C) | 40.4 |
| 10 (CH) | 50 |
| 11 (CH2) | 38.2 |
| 12 (CH2) | 34.3 |
| 13 (C) | 140.6 |
| 14 (CH) | 119.7 |
| 15 (CH2) | 36 |
| 16 (CH) | 69.1 |
| 17 (C) | 173 |
| 18 (CH) | 117.8 |
| 19 (C) | 173 |
| 20 (CH2) | 103.2 |
| 21 (CH3) | 21.5 |
| 22 (CH3) | 16.4 |
| 23 (CH3) | 18.7 |
| 24 (CH3) | 16.7 |
| 25 (CH) | 99.7 |
