Spektraris NMR
Jaborosalactone P
Common Name: Jaborosalactone P
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H36O6/c1-14-15(2)28(34-23(14)31)22(30)16(3)26(32)12-11-19-18-10-9-17-7-6-8-21(29)24(17,4)20(18)13-27(28,33)25(19,26)5/h6,8-9,16,18-20,22,30,32-33H,7,10-13H2,1-5H3/t16-,18+,19+,20+,22-,24+,25+,26-,27-,28+/m1/s1
InChIKey: InChIKey=PUGVQJIZFAUFIH-KVZDTKSGSA-N
Formula: C28H36O6
Molecular Weight: 468.582902
Exact Mass: 468.251189
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Monteagudo, E.S., Oberti, J.C., Gros, E.G., Burton, G. Phytochemistry (1990) 29, 933-5
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) | 202.8 |
| 2 (CH) | 127.3 |
| 3 (CH) | 144.8 |
| 4 (CH2) | 33.3 |
| 5 (C) | 136 |
| 6 (CH) | 124.2 |
| 7 (CH2) | 34 |
| 8 (CH) | 32.6 |
| 9 (CH) | 40 |
| 10 (C) | 50 |
| 11 (CH2) | 30 |
| 12 (C) | 82 |
| 13 (C) | 51.2 |
| 14 (CH) | 44.1 |
| 15 (CH2) | 23.2 |
| 16 (CH2) | 32.1 |
| 17 (C) | 82.9 |
| 18 (CH3) | 12.7 |
| 19 (CH3) | 18.2 |
| 20 (CH) | 40.5 |
| 21 (CH3) | 11.3 |
| 22 (CH) | 71 |
| 23 (C) | 97.6 |
| 24 (C) | 157.5 |
| 25 (C) | 130.7 |
| 26 (C) | 173.3 |
| 27 (CH3) | 9.5 |
| 28 (CH3) | 18.7 |
