Spektraris NMR
Jaborosalactone 48
Common Name: Jaborosalactone 48
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H36O8/c1-13-14(2)23(30)35-21(13)22-15(3)26(31)9-7-17-16-10-20-27(32)8-5-6-19(29)25(27,12-34-20)18(16)11-28(33,36-22)24(17,26)4/h5-6,15-18,20-22,31-33H,7-12H2,1-4H3/t15-,16+,17+,18+,20-,21?,22+,24+,25+,26-,27+,28+/m1/s1
InChIKey: InChIKey=ZBCKRYHWTDTAQB-GINIEFLTSA-N
Formula: C28H36O8
Molecular Weight: 500.581712
Exact Mass: 500.241018
NMR Solvent: c
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) | 199.8 |
| 2 (CH) | 127.2 |
| 3 (CH) | 146.3 |
| 4 (CH2) | 32.2 |
| 5 (C) | 77.1 |
| 6 (CH) | 81.4 |
| 7 (CH2) | 32 |
| 8 (CH) | 31.6 |
| 9 (CH) | 40.9 |
| 10 (C) | 50 |
| 11 (CH2) | 37.3 |
| 12 (C) | 97.8 |
| 13 (C) | 48.4 |
| 14 (CH) | 44.9 |
| 15 (CH2) | 22.3 |
| 16 (CH2) | 34.2 |
| 17 (C) | 79.7 |
| 18 (CH3) | 12 |
| 19 (CH2) | 66.8 |
| 20 (CH) | 35.3 |
| 21 (CH3) | 9.9 |
| 22 (CH) | 68.6 |
| 23 (CH) | 82.2 |
| 24 (C) | 157.3 |
| 25 (C) | 123.4 |
| 26 (C) | 174.9 |
| 27 (CH3) | 8.2 |
| 28 (CH3) | 11.7 |
