Spektraris NMR
Jaborosalactone X
Common Name: Jaborosalactone X
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H42O8/c1-14-10-21(36-25(34)17(14)12-29)15(2)18-4-5-19-16-11-24(33)28(35)23(32)7-6-22(31)27(28,13-30)20(16)8-9-26(18,19)3/h15-16,18-21,23-24,29-30,32-33,35H,4-13H2,1-3H3/t15-,16-,18+,19-,20-,21+,23-,24+,26+,27-,28-/m0/s1
InChIKey: InChIKey=DFSBDOXCQOJIAK-KVQZJPFPSA-N
Formula: C28H42O8
Molecular Weight: 506.629356
Exact Mass: 506.287968
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Misico, R.I., Oberti, J.C., Veleiro, A.S., Burton, G. J Nat Prod (1996) 59, 66-8
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) | 209.3 |
| 2 (CH2) | 39.7 |
| 3 (CH2) | 44 |
| 4 (CH) | 67.7 |
| 5 (C) | 71.7 |
| 6 (CH) | 73.3 |
| 7 (CH2) | 32.8 |
| 8 (CH) | 37.9 |
| 9 (CH) | 29.4 |
| 10 (C) | 52.7 |
| 11 (CH2) | 24.1 |
| 12 (CH2) | 39.9 |
| 13 (C) | 43.4 |
| 14 (CH) | 55.5 |
| 15 (CH2) | 22.5 |
| 16 (CH2) | 27.3 |
| 17 (CH) | 52.2 |
| 18 (CH3) | 12.1 |
| 19 (CH2) | 61.6 |
| 20 (CH) | 38.9 |
| 21 (CH3) | 13.4 |
| 22 (CH) | 78.9 |
| 23 (CH2) | 29.9 |
| 24 (C) | 153.4 |
| 25 (C) | 125.7 |
| 26 (C) | 167.2 |
| 27 (CH2) | 57.2 |
| 28 (CH3) | 20.1 |
