Spektraris NMR
(+)-Jaborol
Common Name: (+)-Jaborol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H36O6/c1-14-11-22(34-26(31)15(14)2)17(4)28(32)10-9-20-19-12-23(18-7-6-8-21(29)16(18)3)33-24(19)13-25(30)27(20,28)5/h6-8,17,19-20,22-24,29,32H,9-13H2,1-5H3/t17-,19+,20+,22-,23-,24-,27-,28-/m1/s1
InChIKey: InChIKey=NRUXYXNJOQUZGB-QWERHGEFSA-N
Formula: C28H36O6
Molecular Weight: 468.582902
Exact Mass: 468.251189
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Fajardo, V., Freyer, A.J., Minard, R.D., Shamma, M. Tetrahedron (1987) 43, 3875-80
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) | 149.76 |
| 2 (CH) | 114.04 |
| 3 (CH) | 126.55 |
| 4 (CH) | 116.56 |
| 5 (C) | 140.62 |
| 6 (CH) | 78.14 |
| 7 (CH2) | 39.57 |
| 8 (CH) | 43.5 |
| 9 (CH) | 76.23 |
| 10 (C) | 121.04 |
| 11 (CH2) | 58.9 |
| 12 (C) | 212.81 |
| 13 (C) | 45.59 |
| 14 (CH) | 46.96 |
| 15 (CH2) | 24.42 |
| 16 (CH2) | 34.44 |
| 17 (C) | 83.35 |
| 18 (CH3) | 16.09 |
| 19 (CH3) | 11.01 |
| 20 (CH) | 40.85 |
| 21 (CH3) | 13.04 |
| 22 (CH) | 78.29 |
| 23 (CH2) | 33.72 |
| 24 (C) | 153.97 |
| 25 (C) | 121.67 |
| 26 (C) | 166.1 |
| 27 (CH3) | 12.38 |
| 28 (CH3) | 20.52 |
