Spektraris NMR
Jaborosalactone 36
Common Name: Jaborosalactone 36
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H36O9/c1-22-15-11-28(33)23(2)14(13(15)10-18-27(22,36-18)8-5-6-17(22)29)7-9-26(23,32)16-12-34-25(4)20(19(16)37-28)35-21(30)24(25,3)31/h5-6,13-16,18-20,31-33H,7-12H2,1-4H3/t13-,14-,15-,16+,18+,19-,20?,22-,23-,24+,25+,26+,27+,28-/m0/s1
InChIKey: InChIKey=CHXGYHUCKKHUFQ-ZFDNKLFFSA-N
Formula: C28H36O9
Molecular Weight: 516.581117
Exact Mass: 516.235933
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Nicotra, V.E., Ramacciotti, N.S., Gil, R.R., Oberti, J.C., Feresin, G.E., Guerrero, C.A., Baggio, R.F., Garland, M.T., Burton, G. J Nat Prod (2006) 69, 783-9
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) | 202.9 |
| 2 (CH) | 129.7 |
| 3 (CH) | 144.7 |
| 4 (CH2) | 32.6 |
| 5 (C) | 61.5 |
| 6 (CH) | 63 |
| 7 (CH2) | 30 |
| 8 (CH) | 29.4 |
| 9 (CH) | 41.7 |
| 10 (C) | 48 |
| 11 (CH2) | 36.4 |
| 12 (C) | 99.7 |
| 13 (C) | 48 |
| 14 (CH) | 45.6 |
| 15 (CH2) | 22.7 |
| 16 (CH2) | 33.5 |
| 17 (C) | 77.9 |
| 18 (CH3) | 11.3 |
| 19 (CH3) | 14.4 |
| 20 (CH) | 37.3 |
| 21 (CH2) | 61.8 |
| 22 (CH) | 64.5 |
| 23 (CH) | 80.4 |
| 24 (C) | 81.3 |
| 25 (C) | 77.5 |
| 26 (C) | 178.1 |
| 27 (CH3) | 11.5 |
| 28 (CH3) | 15.5 |
