Spektraris NMR
swertenol
Common Name: swertenol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O/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/h11,20,22-24,31H,9-10,12-19H2,1-8H3/t20-,22-,23+,24-,27+,28+,29-,30-/m0/s1
InChIKey: InChIKey=HGKGZBAXPIRVLR-LNQGNKRQSA-N
Formula: C30H50O1
Molecular Weight: 426.71852
Exact Mass: 426.386166
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Chakravarty A. K., Das B., Mukhopadhyay S. Tetrahedron (1991) 47, 2337
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Swertanes; 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) | 36.9 |
| 2 (CH2) | 27.8 |
| 3 (CH) | 79.3 |
| 4 (C) | 39 |
| 5 (CH) | 50.7 |
| 6 (CH2) | 24.2 |
| 7 (CH) | 116.2 |
| 8 (C) | 145 |
| 9 (CH) | 47.9 |
| 10 (C) | 35.3 |
| 11 (CH2) | 16.7 |
| 12 (CH2) | 34.1 |
| 13 (C) | 36.5 |
| 14 (C) | 41 |
| 15 (CH2) | 29.1 |
| 16 (CH2) | 27.9 |
| 17 (C) | 38.2 |
| 18 (CH) | 43.4 |
| 19 (CH2) | 23.3 |
| 20 (CH2) | 21.3 |
| 21 (CH2) | 27.2 |
| 22 (C) | 39 |
| 23 (CH3) | 27.6 |
| 24 (CH3) | 14.6 |
| 25 (CH3) | 12.9 |
| 26 (CH3) | 23.8 |
| 27 (CH3) | 22.2 |
| 28 (CH3) | 16.1 |
| 29 (CH3) | 25.3 |
| 30 (CH3) | 23 |
