Spektraris NMR
E-Aglawone
Common Name: E-Aglawone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H32O2/c1-4-16-19(23)12-18-15-6-5-13-11-14(22)7-9-20(13,2)17(15)8-10-21(16,18)3/h4,13-15,17-18,22H,5-12H2,1-3H3/b16-4-/t13-,14+,15+,17-,18-,20-,21+/m0/s1
InChIKey: InChIKey=FZLHJBYSYBKMAV-WXMGQJOASA-N
Formula: C21H32O2
Molecular Weight: 316.478368
Exact Mass: 316.24023
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Qiu S.X., Nguyen V.H., Le T.X., Gu J.Q., Lobkovsky E., Tran C.K., Soejarto D.D., Clardy J., Pezzuto J.M., Dong Y., Mai V.T., Le M.H., Fong H.H. Phytochemistry (2001) 56, 775-80
Species:
Notes: Family : Steroids, Type : Pregnanes; 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) | 31.92 |
| 2 (CH2) | 28.92 |
| 3 (CH) | 66.45 |
| 4 (CH2) | 36.33 |
| 5 (CH) | 39.03 |
| 6 (CH2) | 28.27 |
| 7 (CH2) | 31.87 |
| 8 (CH) | 34.19 |
| 9 (CH) | 54.03 |
| 10 (C) | 36.25 |
| 11 (CH2) | 20.52 |
| 12 (CH2) | 35.79 |
| 13 (C) | 43.39 |
| 14 (CH) | 50.07 |
| 15 (CH2) | 37.93 |
| 16 (C) | 206.75 |
| 17 (C) | 148.02 |
| 18 (CH3) | 17.67 |
| 19 (CH3) | 11.17 |
| 20 (CH) | 128.97 |
| 21 (CH3) | 13.17 |
