Spektraris NMR
Aglatomin A
Common Name: Aglatomin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H36O3/c1-5-15-18(23)11-17-14-7-6-13-10-19(24)20(25-4)12-22(13,3)16(14)8-9-21(15,17)2/h13-17,19-20,24H,5-12H2,1-4H3/t13-,14+,15-,16?,17-,19-,20+,21+,22-/m0/s1
InChIKey: InChIKey=VSYFJHFESQENRE-URAAKBLNSA-N
Formula: C22H36O3
Molecular Weight: 348.520272
Exact Mass: 348.266445
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Mohamad, K., Sevenet, T., Dumontet, V., Pais, M., Van Tri, M., Hadi, H., Awang, K., Martin, M.T. Phytochemistry (1999) 51, 1031-7
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) | 37.6 |
| 2 (CH) | 78.3 |
| 3 (CH) | 65.7 |
| 4 (CH2) | 33.5 |
| 5 (CH) | 54.4 |
| 6 (CH2) | 27.6 |
| 7 (CH2) | 32.2 |
| 8 (CH) | 34.1 |
| 9 (CH) | 38.3 |
| 10 (C) | 37 |
| 11 (CH2) | 20.6 |
| 12 (CH2) | 38.3 |
| 13 (C) | 42.2 |
| 14 (CH) | 50.6 |
| 15 (CH2) | 38.6 |
| 16 (C) | 220 |
| 17 (CH) | 65.7 |
| 18 (CH3) | 13.6 |
| 19 (CH3) | 12.7 |
| 20 (CH2) | 17.8 |
| 21 (CH3) | 13.6 |
| 2a (CH3) | 56.1 |
