Spektraris NMR
Jaborosalactone 15
Common Name: Jaborosalactone 15
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H36O9/c1-12-13(2)28(35-22(12)32)20(30)14(3)25(33)8-6-16-15-10-19(29)26-9-7-18(36-37-26)21(31)23(26,4)17(15)11-27(28,34)24(16,25)5/h7,9,14-20,29-30,33-34H,6,8,10-11H2,1-5H3/t14-,15+,16+,17+,18+,19-,20-,23+,24+,25-,26+,27-,28+/m1/s1
InChIKey: InChIKey=OFHBICRWKLIPDL-YXMFKDQJSA-N
Formula: C28H36O9
Molecular Weight: 516.581117
Exact Mass: 516.235933
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) | 204.9 |
| 2 (CH) | 78.4 |
| 3 (CH) | 126.3 |
| 4 (CH) | 141.2 |
| 5 (C) | 81.2 |
| 6 (CH) | 66.3 |
| 7 (CH2) | 34.1 |
| 8 (CH) | 28.7 |
| 9 (CH) | 38.5 |
| 10 (C) | 47.8 |
| 11 (CH2) | 30.9 |
| 12 (C) | 81.5 |
| 13 (C) | 50.6 |
| 14 (CH) | 44.7 |
| 15 (CH2) | 23 |
| 16 (CH2) | 33.6 |
| 17 (C) | 82.7 |
| 18 (CH3) | 13 |
| 19 (CH3) | 18.4 |
| 20 (CH) | 40.6 |
| 21 (CH3) | 11.2 |
| 22 (CH) | 71.2 |
| 23 (C) | 97.4 |
| 24 (C) | 159.2 |
| 25 (C) | 129.4 |
| 26 (C) | 172.9 |
| 27 (CH3) | 8.9 |
| 28 (CH3) | 18.6 |
