Spektraris NMR
Salpichrolide L
Common Name: Salpichrolide L
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H38O6/c1-14(19-13-25(3)27(5,34-25)23(31)32-19)17-12-18(29)22-15-11-21-28(33-21)9-6-7-20(30)26(28,4)16(15)8-10-24(17,22)2/h6-7,12,14-16,18-19,21-23,29,31H,8-11,13H2,1-5H3/t14-,15+,16-,18-,19+,21-,22+,23+,24+,25-,26-,27+,28-/m0/s1
InChIKey: InChIKey=YSQAQXCFSXPGGZ-IHRUZMLMSA-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) | 202.5 |
| 2 (CH) | 129 |
| 3 (CH) | 142.1 |
| 4 (CH2) | 34.2 |
| 5 (C) | 64.9 |
| 6 (CH) | 58.7 |
| 7 (CH2) | 29.7 |
| 8 (CH) | 36.2 |
| 9 (CH) | 38.4 |
| 10 (C) | 48.7 |
| 11 (CH2) | 22.1 |
| 12 (CH2) | 33.7 |
| 13 (C) | 47.2 |
| 14 (CH) | 65.2 |
| 15 (CH) | 78.2 |
| 16 (CH) | 127.8 |
| 17 (C) | 157.6 |
| 18 (CH3) | 18.9 |
| 19 (CH3) | 15.7 |
| 20 (CH) | 28.9 |
| 21 (CH3) | 17 |
| 22 (CH) | 66.3 |
| 23 (CH2) | 34.7 |
| 24 (C) | 64.7 |
| 25 (C) | 63.8 |
| 26 (CH) | 91.6 |
| 27 (CH3) | 16.5 |
| 28 (CH3) | 19.1 |
