Spektraris NMR
Jaborosalactone 47
Common Name: Jaborosalactone 47
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H42O10/c1-13-14(2)24(34)38-22(13)23-15(3)27(35)9-8-17-16-10-21(33)29(36)20(32)7-6-19(31)26(29,12-30)18(16)11-28(37-5,39-23)25(17,27)4/h15-18,20-23,30,32-33,35-36H,6-12H2,1-5H3/t15-,16+,17+,18+,20+,21-,22?,23+,25+,26+,27-,28+,29+/m1/s1
InChIKey: InChIKey=ANDRRXONDSKBSB-AHZPIWKFSA-N
Formula: C29H42O10
Molecular Weight: 550.638902
Exact Mass: 550.277798
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Cirigliano, A.M., Veleiro, A.S., Misico, R.I., Tettamanzi, M.C., Oberti, J.C., Burton, G. J Nat Prod (2007) 70, 1644-6
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) | 208 |
| 2 (CH2) | 38.6 |
| 3 (CH2) | 43.9 |
| 4 (CH) | 68 |
| 5 (C) | 71.4 |
| 6 (CH) | 72.7 |
| 7 (CH2) | 33.6 |
| 8 (CH) | 34.5 |
| 9 (CH) | 28.8 |
| 10 (C) | 52.3 |
| 11 (CH2) | 31.3 |
| 12 (C) | 101.6 |
| 13 (C) | 47.9 |
| 14 (CH) | 45.8 |
| 15 (CH2) | 22.4 |
| 16 (CH2) | 29.1 |
| 17 (C) | 79.6 |
| 18 (CH3) | 12.1 |
| 19 (CH2) | 61.5 |
| 20 (CH) | 35.1 |
| 21 (CH3) | 10.5 |
| 22 (CH) | 69 |
| 23 (CH) | 82.6 |
| 24 (C) | 155.8 |
| 25 (C) | 125.6 |
| 26 (C) | 175.9 |
| 27 (CH3) | 8.4 |
| 28 (CH3) | 12 |
| 12a (CH3) | 47.9 |
