Spektraris NMR
Jaborosalactone 5
Common Name: Jaborosalactone 5
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H32O6/c1-14-15(2)28(34-24(14)32)23(31)18(13-29)20-11-10-19-17-9-8-16-6-5-7-22(30)25(16,3)21(17)12-27(28,33)26(19,20)4/h5,7-8,17,19,21,29,33H,6,9-13H2,1-4H3/t17-,19-,21-,25-,26-,27+,28-/m0/s1
InChIKey: InChIKey=WEGSTRJZXDTPCG-JQOZULIVSA-N
Formula: C28H32O6
Molecular Weight: 464.551139
Exact Mass: 464.219889
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Cirigliano, A.M., Veleiro, A.S., Bonetto, G.M., Oberti, J.C., Burton, G. J Nat Prod (1996) 59, 717-21
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) | 202.8 |
| 2 (CH) | 127.7 |
| 3 (CH) | 145 |
| 4 (CH2) | 33.3 |
| 5 (C) | 135.4 |
| 6 (CH) | 124.1 |
| 7 (CH2) | 35 |
| 8 (CH) | 32.1 |
| 9 (CH) | 40.7 |
| 10 (C) | 49.9 |
| 11 (CH2) | 29.7 |
| 12 (C) | 75.6 |
| 13 (C) | 48.7 |
| 14 (CH) | 46.9 |
| 15 (CH2) | 23.3 |
| 16 (CH2) | 25.3 |
| 17 (C) | 166.4 |
| 18 (CH3) | 14.4 |
| 19 (CH3) | 18.5 |
| 20 (C) | 127.6 |
| 21 (CH2) | 58.7 |
| 22 (C) | 193 |
| 23 (C) | 91.2 |
| 24 (C) | 159.5 |
| 25 (C) | 128.4 |
| 26 (C) | 173 |
| 27 (CH3) | 9 |
| 28 (CH3) | 15.9 |
