Spektraris NMR
Jaborosalactone 40
Common Name: Jaborosalactone 40
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H36O7/c1-14-15(2)24(31)34-22(14)23-20(13-29)27(32)11-10-18-17-9-8-16-6-5-7-21(30)25(16,3)19(17)12-28(33,35-23)26(18,27)4/h5,7-8,17-20,22-23,29,32-33H,6,9-13H2,1-4H3/t17-,18-,19-,20+,22+,23-,25-,26-,27+,28-/m0/s1
InChIKey: InChIKey=MCUYSKMKOFTKAD-NECSBBFXSA-N
Formula: C28H36O7
Molecular Weight: 484.582307
Exact Mass: 484.246104
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Nicotra, V.E., Gil, R.R., Oberti, J.C., Burton, G. J Nat Prod (2007) 70, 808-12
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) | 203.7 |
| 2 (CH) | 127.8 |
| 3 (CH) | 145.5 |
| 4 (CH2) | 33.3 |
| 5 (C) | 135.7 |
| 6 (CH) | 124.3 |
| 7 (CH2) | 29.7 |
| 8 (CH) | 32.5 |
| 9 (CH) | 40.4 |
| 10 (C) | 49.9 |
| 11 (CH2) | 36.5 |
| 12 (C) | 99.3 |
| 13 (C) | 47.2 |
| 14 (CH) | 46.4 |
| 15 (CH2) | 22.8 |
| 16 (CH2) | 34.4 |
| 17 (C) | 82.8 |
| 18 (CH3) | 11.3 |
| 19 (CH3) | 18.9 |
| 20 (CH) | 43 |
| 21 (CH2) | 59.8 |
| 22 (CH) | 67.9 |
| 23 (CH) | 85.7 |
| 24 (C) | 160.2 |
| 25 (C) | 124.3 |
| 26 (C) | 174.8 |
| 27 (CH3) | 8.4 |
| 28 (CH3) | 13.9 |
