Spektraris NMR
(26S)-Salpichrolide M
Common Name: (26S)-Salpichrolide M
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H36O6/c1-15(21-14-25(2,31)27(4,32)24(30)33-21)16-7-9-18-17(12-16)8-10-20-19(18)13-23-28(34-23)11-5-6-22(29)26(20,28)3/h5-7,9,12,15,19-21,23-24,30-32H,8,10-11,13-14H2,1-4H3/t15-,19-,20-,21?,23-,24-,25+,26-,27+,28-/m0/s1
InChIKey: InChIKey=UPOXIHOCSBWLNQ-RLLPZXTHSA-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) | 202.7 |
| 2 (CH) | 128.9 |
| 3 (CH) | 142.5 |
| 4 (CH2) | 33.6 |
| 5 (C) | 64.6 |
| 6 (CH) | 59 |
| 7 (CH2) | 30.3 |
| 8 (CH) | 33.2 |
| 9 (CH) | 36.4 |
| 10 (C) | 48.7 |
| 11 (CH2) | 25.4 |
| 12 (CH2) | 30.6 |
| 13 (C) | 137.7 |
| 14 (C) | 137.1 |
| 15 (CH) | 125.4 |
| 16 (CH) | 126.5 |
| 17 (C) | 141.3 |
| 18 (CH) | 128.2 |
| 19 (CH3) | 14.8 |
| 20 (CH) | 43.9 |
| 21 (CH3) | 18 |
| 22 (CH) | 71.7 |
| 23 (CH2) | 40.2 |
| 24 (C) | 73.7 |
| 25 (C) | 76.5 |
| 26 (CH) | 97.2 |
| 27 (CH3) | 20.9 |
| 28 (CH3) | 24.2 |
