Spektraris NMR
Jaborosalactone 39
Common Name: Jaborosalactone 39
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H38O7/c1-14-10-20(34-23(30)15(14)2)19-13-33-28(32)12-18-16(17-7-9-26(19,31)25(17,28)4)11-22-27(35-22)8-5-6-21(29)24(18,27)3/h16-20,22,31-32H,5-13H2,1-4H3/t16-,17-,18-,19?,20?,22+,24-,25-,26+,27+,28-/m0/s1
InChIKey: InChIKey=JZXWLAXEZDBCCK-FJZHWVCKSA-N
Formula: C28H38O7
Molecular Weight: 486.598188
Exact Mass: 486.261754
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) | 212.8 |
| 2 (CH2) | 35.1 |
| 3 (CH2) | 18 |
| 4 (CH2) | 30.2 |
| 5 (C) | 64.3 |
| 6 (CH) | 60.4 |
| 7 (CH2) | 31.7 |
| 8 (CH) | 27.6 |
| 9 (CH) | 41.1 |
| 10 (C) | 51.9 |
| 11 (CH2) | 36.5 |
| 12 (C) | 100.4 |
| 13 (C) | 51.3 |
| 14 (CH) | 50.6 |
| 15 (CH2) | 24.2 |
| 16 (CH2) | 35.5 |
| 17 (C) | 78.8 |
| 18 (CH3) | 1.12 |
| 19 (CH3) | 13.1 |
| 20 (CH) | 47.1 |
| 21 (CH2) | 60.3 |
| 22 (CH) | 76.3 |
| 23 (CH2) | 35.1 |
| 24 (C) | 149.2 |
| 25 (C) | 122 |
| 26 (C) | 165.1 |
| 27 (CH3) | 12.4 |
| 28 (CH3) | 20.4 |
