Spektraris NMR
Aglatomin B
Common Name: Aglatomin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H34O4/c1-5-19-21(2)9-8-15-14(16(21)11-20(24)26-19)7-6-13-10-17(23)18(25-4)12-22(13,15)3/h5,13-19,23H,1,6-12H2,2-4H3/t13-,14+,15?,16-,17-,18+,19+,21-,22-/m0/s1
InChIKey: InChIKey=CEMIELPQKCGKKJ-FDBIISJFSA-N
Formula: C22H34O4
Molecular Weight: 362.503795
Exact Mass: 362.24571
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) | 37.5 |
| 2 (CH) | 78.2 |
| 3 (CH) | 65.5 |
| 4 (CH2) | 33.3 |
| 5 (CH) | 53 |
| 6 (CH2) | 27.3 |
| 7 (CH2) | 30 |
| 8 (CH) | 35.5 |
| 9 (CH) | 37.7 |
| 10 (C) | 37.5 |
| 11 (CH2) | 19.4 |
| 12 (CH2) | 35.1 |
| 13 (C) | 46 |
| 14 (CH) | 45.9 |
| 15 (CH2) | 32.1 |
| 16 (C) | 173 |
| 17 (CH) | 90.6 |
| 18 (CH3) | 11.6 |
| 19 (CH3) | 12.6 |
| 20 (CH) | 131.7 |
| 21 (CH2) | 119.4 |
| 2a (CH3) | 56.1 |
