Spektraris NMR
Jaborosalactone 14
Common Name: Jaborosalactone 14
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H40O8/c1-14-15(2)29(37-23(14)33)22(32)16(3)26(34)11-9-18-17-12-21(31)27(36-6)10-7-8-20(30)24(27,4)19(17)13-28(29,35)25(18,26)5/h7-8,16-19,21-22,31-32,34-35H,9-13H2,1-6H3/t16-,17+,18+,19+,21-,22-,24+,25+,26-,27+,28-,29+/m1/s1
InChIKey: InChIKey=LPBGVQXHMJPFQN-GCXMASHBSA-N
Formula: C29H40O8
Molecular Weight: 516.624211
Exact Mass: 516.272318
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) | 202.3 |
| 2 (CH) | 129.2 |
| 3 (CH) | 138.5 |
| 4 (CH2) | 27.3 |
| 5 (C) | 81.4 |
| 6 (CH) | 68.3 |
| 7 (CH2) | 34.3 |
| 8 (CH) | 29 |
| 9 (CH) | 37.2 |
| 10 (C) | 50 |
| 11 (CH2) | 31.5 |
| 12 (C) | 82.4 |
| 13 (C) | 53 |
| 14 (CH) | 44.8 |
| 15 (CH2) | 23.4 |
| 16 (CH2) | 33.2 |
| 17 (C) | 82.9 |
| 18 (CH3) | 12.9 |
| 19 (CH3) | 14.7 |
| 20 (CH) | 40.7 |
| 21 (CH3) | 11.3 |
| 22 (CH) | 71.7 |
| 23 (C) | 97.3 |
| 24 (C) | 157.5 |
| 25 (C) | 130.9 |
| 26 (C) | 173 |
| 27 (CH3) | 9.4 |
| 28 (CH3) | 18.5 |
| 5a (CH3) | 49.9 |
