Spektraris NMR
Salpichrolide K
Common Name: Salpichrolide K
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H36O6/c1-16(28(32)14-24(2,30)25(3,31)15-33-28)17-7-9-19-18(12-17)8-10-21-20(19)13-23-27(34-23)11-5-6-22(29)26(21,27)4/h5-7,9,12,16,20-21,23,30-32H,8,10-11,13-15H2,1-4H3/t16-,20-,21-,23-,24+,25+,26-,27-,28+/m0/s1
InChIKey: InChIKey=PWJFVQWBQJRDTE-YHGGEORMSA-N
Formula: C28H36O6
Molecular Weight: 468.582902
Exact Mass: 468.251189
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 : Abeo-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 |
| 2 (CH) | 128.9 |
| 3 (CH) | 142.5 |
| 4 (CH2) | 33.6 |
| 5 (C) | 64.7 |
| 6 (CH) | 59 |
| 7 (CH2) | 30.6 |
| 8 (CH) | 33.3 |
| 9 (CH) | 36.4 |
| 10 (C) | 48.8 |
| 11 (CH2) | 25.4 |
| 12 (CH2) | 30.4 |
| 13 (C) | 137.3 |
| 14 (C) | 138 |
| 15 (CH) | 126.6 |
| 16 (CH) | 126.9 |
| 17 (C) | 139.4 |
| 18 (CH) | 130 |
| 19 (CH3) | 14.9 |
| 20 (CH) | 42.9 |
| 21 (CH3) | 15.6 |
| 22 (C) | 99.1 |
| 23 (CH2) | 53.4 |
| 24 (C) | 72.5 |
| 25 (C) | 71.5 |
| 26 (CH2) | 66 |
| 27 (CH3) | 17.1 |
| 28 (CH3) | 22.9 |
