Spektraris NMR
Jaborosalactone 11
Common Name: Jaborosalactone 11
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H36O7/c1-13-14(2)28(35-22(13)31)21(30)15(3)25(32)10-8-17-16-11-20-26(34-20)9-6-7-19(29)23(26,4)18(16)12-27(28,33)24(17,25)5/h6-7,15-18,20-21,30,32-33H,8-12H2,1-5H3/t15-,16+,17+,18+,20-,21-,23+,24+,25-,26-,27-,28+/m1/s1
InChIKey: InChIKey=GGMUAKIHNPGHTH-YSCCLWSISA-N
Formula: C28H36O7
Molecular Weight: 484.582307
Exact Mass: 484.246104
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Cirigliano, A.M., Veleiro, A.S., Oberti, J.C., Burton, G. J Nat Prod (2002) 65, 1049-51
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) | 203 |
| 2 (CH) | 128.8 |
| 3 (CH) | 145 |
| 4 (CH2) | 33.3 |
| 5 (C) | 62 |
| 6 (CH) | 63.1 |
| 7 (CH2) | 29.7 |
| 8 (CH) | 29.1 |
| 9 (CH) | 41.7 |
| 10 (C) | 50.3 |
| 11 (CH2) | 30.5 |
| 12 (C) | 82 |
| 13 (C) | 53.4 |
| 14 (CH) | 44.1 |
| 15 (CH2) | 23.1 |
| 16 (CH2) | 32.4 |
| 17 (C) | 82.8 |
| 18 (CH3) | 12.8 |
| 19 (CH3) | 14.7 |
| 20 (CH) | 40.5 |
| 21 (CH3) | 11.2 |
| 22 (CH) | 71.8 |
| 23 (C) | 97 |
| 24 (C) | 157 |
| 25 (C) | 130.5 |
| 26 (C) | 173.2 |
| 27 (CH3) | 9.6 |
| 28 (CH3) | 18.7 |
