Spektraris NMR
Jaborosalactone 30
Common Name: Jaborosalactone 30
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H36O7/c1-14-12-27(34-23(31)15(14)2)16(3)26(32)10-9-18-17-11-21(29)19-7-6-8-22(30)24(19,4)20(17)13-28(33,35-27)25(18,26)5/h6-8,16-18,20-21,29,32-33H,9-13H2,1-5H3/t16-,17-,18-,20-,21+,24-,25-,26+,27+,28-/m0/s1
InChIKey: InChIKey=QWEIHMIYLYYENY-CXDIKLOLSA-N
Formula: C28H36O7
Molecular Weight: 484.582307
Exact Mass: 484.246104
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) | 204.9 |
| 2 (CH) | 126.8 |
| 3 (CH) | 139.9 |
| 4 (CH) | 118.3 |
| 5 (C) | 157.5 |
| 6 (CH) | 73.4 |
| 7 (CH2) | 39 |
| 8 (CH) | 29.9 |
| 9 (CH) | 46.2 |
| 10 (C) | 53.1 |
| 11 (CH2) | 35.4 |
| 12 (C) | 100.1 |
| 13 (C) | 47.7 |
| 14 (CH) | 46.2 |
| 15 (CH2) | 22.1 |
| 16 (CH2) | 34.1 |
| 17 (C) | 78.5 |
| 18 (CH3) | 12.3 |
| 19 (CH3) | 19.6 |
| 20 (CH) | 40.6 |
| 21 (CH3) | 10.1 |
| 22 (C) | 103.6 |
| 23 (CH2) | 39.2 |
| 24 (C) | 146.8 |
| 25 (C) | 120.4 |
| 26 (C) | 164.7 |
| 27 (CH3) | 12.5 |
| 28 (CH3) | 20.5 |
