Spektraris NMR
Jaborosalactone 13
Common Name: Jaborosalactone 13
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H38O8/c1-13-14(2)28(36-22(13)32)21(31)15(3)25(33)10-8-17-16-11-20(30)26(34)9-6-7-19(29)23(26,4)18(16)12-27(28,35)24(17,25)5/h6-7,15-18,20-21,30-31,33-35H,8-12H2,1-5H3/t15-,16+,17+,18+,20-,21-,23+,24+,25-,26+,27-,28+/m1/s1
InChIKey: InChIKey=OSAOWATUTILJKL-OWGRDSFDSA-N
Formula: C28H38O8
Molecular Weight: 502.597593
Exact Mass: 502.256668
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Cirigliano, A.M., Veleiro, A.S., Oberti, J.C., Burton, G. J Nat Prod (2002) 65, 1049-51
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) | 203.8 |
| 2 (CH) | 129 |
| 3 (CH) | 141.3 |
| 4 (CH2) | 36.1 |
| 5 (C) | 77.7 |
| 6 (CH) | 74.4 |
| 7 (CH2) | 31.5 |
| 8 (CH) | 29.3 |
| 9 (CH) | 37.6 |
| 10 (C) | 50 |
| 11 (CH2) | 29.7 |
| 12 (C) | 82.4 |
| 13 (C) | 52 |
| 14 (CH) | 44.1 |
| 15 (CH2) | 23.4 |
| 16 (CH2) | 33 |
| 17 (C) | 82.9 |
| 18 (CH3) | 13 |
| 19 (CH3) | 14.6 |
| 20 (CH) | 40.6 |
| 21 (CH3) | 11.2 |
| 22 (CH) | 71.9 |
| 23 (C) | 97.6 |
| 24 (C) | 158.4 |
| 25 (C) | 131 |
| 26 (C) | 171 |
| 27 (CH3) | 9.6 |
| 28 (CH3) | 18.3 |
