Spektraris NMR
Jaborosalactone 0
Common Name: Jaborosalactone 0
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H40O6/c1-15-12-21(33-24(31)16(15)2)17(3)27(32)11-8-19-18-13-23-28(34-23)9-5-6-22(30)26(28,14-29)20(18)7-10-25(19,27)4/h17-21,23,29,32H,5-14H2,1-4H3/t17-,18+,19+,20+,21-,23-,25+,26+,27+,28-/m1/s1
InChIKey: InChIKey=XDTKHPAZGJTPJH-FNMGNDPVSA-N
Formula: C28H40O6
Molecular Weight: 472.614665
Exact Mass: 472.282489
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Monteagudo, E.S., Burton, G., Gros, E.G., Gonzalez, C.M., Oberti, J.C. Phytochemistry (1989) 28, 2514-5
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) | 210.7 |
| 2 (CH2) | 31.4 |
| 3 (CH2) | 31.1 |
| 4 (CH2) | 35.6 |
| 5 (C) | 64.1 |
| 6 (CH) | 59.3 |
| 7 (CH2) | 21.5 |
| 8 (CH) | 30.6 |
| 9 (CH) | 42.4 |
| 10 (C) | 55.9 |
| 11 (CH2) | 18 |
| 12 (CH2) | 31.9 |
| 13 (C) | 48.1 |
| 14 (CH) | 50.8 |
| 15 (CH2) | 23.5 |
| 16 (CH2) | 36.4 |
| 17 (C) | 84.9 |
| 18 (CH3) | 14.7 |
| 19 (CH2) | 62.7 |
| 20 (CH) | 42.6 |
| 21 (CH3) | 9.5 |
| 22 (CH) | 78.5 |
| 23 (CH2) | 32.7 |
| 24 (C) | 150 |
| 25 (C) | 121.3 |
| 26 (C) | 166.7 |
| 27 (CH3) | 12.3 |
| 28 (CH3) | 20.4 |
