Spektraris NMR
Acnistins A
Common Name: Acnistins A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H38O6/c1-23-13-18(19(14-23)33-22(30)26(23,4)31)27(32)11-8-16-15-12-21-28(34-21)9-5-6-20(29)25(28,3)17(15)7-10-24(16,27)2/h5-6,15-19,21,31-32H,7-14H2,1-4H3/t15-,16-,17-,18-,19+,21+,23+,24-,25-,26-,27+,28+/m0/s1
InChIKey: InChIKey=RNORCGKHUAMBKR-RNDHMNKTSA-N
Formula: C28H38O6
Molecular Weight: 470.598783
Exact Mass: 470.266839
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Luis, J.G., Echeverri, F., Quinones, W., Gonzalez, A.G., Torres, F., Cardona, G., Archbold, R., Perales, A. Tetrahedron (1994) 50, 1217-26
Species:
Notes: Family : Steroids, Type : Ergostanes, Group : Withanolides; 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 (C) | 202.36 |
| 2 (CH) | 129.87 |
| 3 (CH) | 143.56 |
| 4 (CH2) | 31 |
| 5 (C) | 62.14 |
| 6 (CH) | 62.89 |
| 7 (CH2) | 32.76 |
| 8 (CH) | 30.74 |
| 9 (CH) | 43.85 |
| 10 (C) | 46.94 |
| 11 (CH2) | 22.69 |
| 12 (CH2) | 33.26 |
| 13 (C) | 48.54 |
| 14 (CH) | 50.42 |
| 15 (CH2) | 23.5 |
| 16 (CH2) | 36.92 |
| 17 (C) | 85.43 |
| 18 (CH3) | 14.41 |
| 19 (CH3) | 14.2 |
| 20 (CH) | 51.33 |
| 21 (CH2) | 37.09 |
| 22 (CH) | 84.05 |
| 23 (CH2) | 41.2 |
| 24 (C) | 45.3 |
| 25 (C) | 76.63 |
| 26 (C) | 179.09 |
| 27 (CH3) | 25.55 |
| 28 (CH3) | 19.92 |
