Spektraris NMR
Swertanone
Common Name: Swertanone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O/c1-25(2)15-9-10-23-29(25,7)19-18-28(6)21-11-12-22-26(3,4)24(31)14-16-27(22,5)20(21)13-17-30(23,28)8/h11,20,22-23H,9-10,12-19H2,1-8H3/t20-,22-,23+,27+,28+,29-,30-/m0/s1
InChIKey: InChIKey=NINOWLHIYZJIFS-QDTJLPTPSA-N
Formula: C30H48O1
Molecular Weight: 424.702638
Exact Mass: 424.370516
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Chakravarty A.K., Das B., Pakrashi S.C., McPhail D.R., McPhail A.T. J Chem Soc, Chem Commun (1989) 0, 438
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : D:C-Friedogammaceranes; 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) | 38.3 |
| 2 (CH2) | 34.8 |
| 3 (C) | 216.5 |
| 4 (C) | 47.8 |
| 5 (CH) | 52.3 |
| 6 (CH2) | 24.5 |
| 7 (CH) | 116.1 |
| 8 (C) | 145.1 |
| 9 (CH) | 43.4 |
| 10 (C) | 35.3 |
| 11 (CH2) | 23.2 |
| 12 (CH2) | 33.9 |
| 13 (C) | 36.5 |
| 14 (C) | 38.1 |
| 15 (CH2) | 29.1 |
| 16 (CH2) | 27.9 |
| 17 (C) | 41 |
| 18 (CH) | 47.4 |
| 19 (CH2) | 16.8 |
| 20 (CH2) | 21.5 |
| 21 (CH2) | 37 |
| 22 (C) | 39 |
| 23 (CH3) | 24.5 |
| 24 (CH3) | 21.4 |
| 25 (CH3) | 16 |
| 26 (CH3) | 22.9 |
| 27 (CH3) | 23.8 |
| 28 (CH3) | 12.5 |
| 29 (CH3) | 25.3 |
| 30 (CH3) | 22.2 |
