Spektraris NMR
Stigmasterol
Common Name: Stigmasterol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-10,19-21,23-27,30H,7,11-18H2,1-6H3/b9-8+/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1
InChIKey: InChIKey=HCXVJBMSMIARIN-PHZDYDNGSA-N
Formula: C29H48O1
Molecular Weight: 412.691902
Exact Mass: 412.370516
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Amaral, M.d.C.E., Faria, A.D., Magalhnes, A.F., Magalhes, E.G., Ruiz, A.L.T.G. Phytochem Anal (2004) 15, 125-9
Species:
Notes: Family : Steroids, Type : Stigmastanes; 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) | 37.2 |
| 2 (CH2) | 31.8 |
| 3 (CH) | 71.5 |
| 4 (CH2) | 42.2 |
| 5 (C) | 140.7 |
| 6 (CH) | 121.6 |
| 7 (CH2) | 33.6 |
| 8 (CH) | 33.6 |
| 9 (CH) | 50.1 |
| 10 (C) | 36.4 |
| 11 (CH2) | 21.1 |
| 12 (CH2) | 39.7 |
| 13 (C) | 42.2 |
| 14 (CH) | 56.7 |
| 15 (CH2) | 24.2 |
| 16 (CH2) | 28.3 |
| 17 (CH) | 56 |
| 18 (CH3) | 12.07 |
| 19 (CH3) | 19.42 |
| 20 (CH) | 40.3 |
| 21 (CH3) | 20.5 |
| 22 (CH) | 138.5 |
| 23 (CH) | 129.4 |
| 24 (CH) | 51.2 |
| 25 (CH) | 31.9 |
| 26 (CH3) | 21.2 |
| 27 (CH3) | 19.8 |
| 24a (CH2) | 25.4 |
| 24b (CH3) | 11.9 |
