Spektraris NMR
Jaborosalactone 26
Common Name: Jaborosalactone 26
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H36O7/c1-14-12-27(34-22(30)15(14)2)16(3)25(31)10-8-18-17-11-21-26(33-21)9-6-7-20(29)23(26,4)19(17)13-28(32,35-27)24(18,25)5/h6-7,16-19,21,31-32H,8-13H2,1-5H3/t16-,17-,18-,19-,21+,23-,24-,25+,26+,27+,28-/m0/s1
InChIKey: InChIKey=DXIYHLOCLKPYLY-DUCPVMFESA-N
Formula: C28H36O7
Molecular Weight: 484.582307
Exact Mass: 484.246104
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Nicotra, V.E., Ramacciotti, N.S., Gil, R.R., Oberti, J.C., Feresin, G.E., Guerrero, C.A., Baggio, R.F., Garland, M.T., Burton, G. J Nat Prod (2006) 69, 783-9
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) | 202.6 |
| 2 (CH) | 129.4 |
| 3 (CH) | 144.2 |
| 4 (CH2) | 32.8 |
| 5 (C) | 61.9 |
| 6 (CH) | 63 |
| 7 (CH2) | 30.3 |
| 8 (CH) | 29.2 |
| 9 (CH) | 41.9 |
| 10 (C) | 48 |
| 11 (CH2) | 37.2 |
| 12 (C) | 100 |
| 13 (C) | 48 |
| 14 (CH) | 47.4 |
| 15 (CH2) | 21.9 |
| 16 (CH2) | 34.1 |
| 17 (C) | 78.9 |
| 18 (CH3) | 12.2 |
| 19 (CH3) | 14.9 |
| 20 (CH) | 40.7 |
| 21 (CH3) | 10 |
| 22 (C) | 103.5 |
| 23 (CH2) | 39.3 |
| 24 (C) | 146.7 |
| 25 (C) | 120.4 |
| 26 (C) | 164.5 |
| 27 (CH3) | 12.3 |
| 28 (CH3) | 20.5 |
