Spektraris NMR
7-Epiacnistin-A
Common Name: 7-Epiacnistin-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-YZAGRNCTSA-N
Formula: C28H38O6
Molecular Weight: 470.598783
Exact Mass: 470.266839
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Habtemariam, S., Skelton, B.W., Waterman, P.G., White, A.H. J Nat Prod (2000) 63, 512-3
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) | 203.8 |
| 2 (CH) | 129.4 |
| 3 (CH) | 144.7 |
| 4 (CH2) | 32.2 |
| 5 (C) | 62.2 |
| 6 (CH) | 63.5 |
| 7 (CH2) | 31.4 |
| 8 (CH) | 30.3 |
| 9 (CH) | 44.6 |
| 10 (C) | 48.6 |
| 11 (CH2) | 23.9 |
| 12 (CH2) | 32.3 |
| 13 (C) | 47.4 |
| 14 (CH) | 50.5 |
| 15 (CH2) | 23.5 |
| 16 (CH2) | 37.9 |
| 17 (C) | 86.1 |
| 18 (CH3) | 16 |
| 19 (CH3) | 15.4 |
| 20 (CH) | 53.2 |
| 21 (CH2) | 34.6 |
| 22 (CH) | 84.6 |
| 23 (CH2) | 41.7 |
| 24 (C) | 47 |
| 25 (C) | 76.9 |
| 26 (C) | 179 |
| 27 (CH3) | 25.7 |
| 28 (CH3) | 20.1 |
