Spektraris NMR
(26S)-Salpichrolide A
Common Name: (26S)-Salpichrolide A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H38O8/c1-15(28(35)14-24(2,32)26(4,33)23(31)36-28)16-7-9-18-17(12-16)8-10-20-19(18)13-22(30)27(34)11-5-6-21(29)25(20,27)3/h5-7,9,12,15,19-20,22-23,30-35H,8,10-11,13-14H2,1-4H3/t15-,19-,20-,22+,23-,24+,25-,26+,27-,28+/m0/s1
InChIKey: InChIKey=MTYPCALXZIWXGO-SIFVSSBZSA-N
Formula: C28H38O8
Molecular Weight: 502.597593
Exact Mass: 502.256668
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) | 203.4 |
| 2 (CH) | 128.1 |
| 3 (CH) | 142.3 |
| 4 (CH2) | 35 |
| 5 (C) | 76.2 |
| 6 (CH) | 74.1 |
| 7 (CH2) | 33.5 |
| 8 (CH) | 32.3 |
| 9 (CH) | 38 |
| 10 (C) | 52.1 |
| 11 (CH2) | 25.7 |
| 12 (CH2) | 30.5 |
| 13 (C) | 138.3 |
| 14 (C) | 137.2 |
| 15 (CH) | 125.2 |
| 16 (CH) | 125.3 |
| 17 (C) | 140.6 |
| 18 (CH) | 127.9 |
| 19 (CH3) | 14 |
| 20 (CH) | 43.5 |
| 21 (CH3) | 17.5 |
| 22 (C) | 71.1 |
| 23 (CH2) | 40.2 |
| 24 (C) | 73.5 |
| 25 (C) | 76.2 |
| 26 (CH) | 97 |
| 27 (CH3) | 20.5 |
| 28 (CH3) | 23.6 |
