Spektraris NMR
Salpichrolide N
Common Name: Salpichrolide N
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H38O6/c1-14(19-13-24(2)27(5,34-24)23(31)32-19)25(3)17-8-9-18-16(15(17)11-21(25)30)12-22-28(33-22)10-6-7-20(29)26(18,28)4/h6-7,14,16,18-19,21-23,30-31H,8-13H2,1-5H3/t14-,16+,18+,19-,21-,22+,23-,24+,25+,26+,27-,28+/m1/s1
InChIKey: InChIKey=LQUZNDLGEHXVQV-IKTAAUHWSA-N
Formula: C28H38O6
Molecular Weight: 470.598783
Exact Mass: 470.266839
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Tettamanzi, M.C., Veleiro, A.S., de la Fuente, J.R., Burton, G. J Nat Prod (2001) 64, 783-6
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) | 203.4 |
| 2 (CH) | 128.8 |
| 3 (CH) | 142.6 |
| 4 (CH2) | 33.7 |
| 5 (C) | 65.2 |
| 6 (CH) | 59.5 |
| 7 (CH2) | 27.5 |
| 8 (CH) | 32.5 |
| 9 (CH) | 36.6 |
| 10 (C) | 48.4 |
| 11 (CH2) | 25 |
| 12 (CH2) | 25.8 |
| 13 (C) | 138.1 |
| 14 (C) | 134.6 |
| 15 (CH2) | 41.1 |
| 16 (CH) | 82.5 |
| 17 (C) | 53.8 |
| 18 (CH3) | 27.4 |
| 19 (CH3) | 15 |
| 20 (CH) | 41.4 |
| 21 (CH3) | 13.2 |
| 22 (CH) | 66.4 |
| 23 (CH2) | 35.8 |
| 24 (C) | 63.7 |
| 25 (C) | 65 |
| 26 (CH) | 91.5 |
| 27 (CH3) | 16.4 |
| 28 (CH3) | 18.9 |
