Spektraris NMR
Jaborosalactone 1
Common Name: Jaborosalactone 1
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H32O6/c1-13-15(3)28(34-23(13)31)22(30)14(2)17-8-9-18-16-11-21-26(33-21)10-6-7-20(29)25(26,5)19(16)12-27(28,32)24(17,18)4/h6-7,16,18-19,21,32H,8-12H2,1-5H3/t16-,18-,19-,21+,24+,25-,26+,27+,28-/m0/s1
InChIKey: InChIKey=HUXPYRJEVUAXLN-YCEUDUMWSA-N
Formula: C28H32O6
Molecular Weight: 464.551139
Exact Mass: 464.219889
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Cirigliano, A.M., Veleiro, A.S., Bonetto, G.M., Oberti, J.C., Burton, G. J Nat Prod (1996) 59, 717-21
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) | 202.6 |
| 2 (CH) | 128.9 |
| 3 (CH) | 144.2 |
| 4 (CH2) | 32.9 |
| 5 (C) | 61.8 |
| 6 (CH) | 63.6 |
| 7 (CH2) | 29.6 |
| 8 (CH) | 29.3 |
| 9 (CH) | 42.1 |
| 10 (C) | 47.7 |
| 11 (CH2) | 35 |
| 12 (C) | 75.3 |
| 13 (C) | 48.3 |
| 14 (CH) | 46.8 |
| 15 (CH2) | 23.3 |
| 16 (CH2) | 25.8 |
| 17 (C) | 162.8 |
| 18 (CH3) | 14.5 |
| 19 (CH3) | 15 |
| 20 (C) | 124.4 |
| 21 (CH3) | 12.3 |
| 22 (C) | 192.9 |
| 23 (C) | 91.4 |
| 24 (C) | 160.5 |
| 25 (C) | 127.8 |
| 26 (C) | 173.1 |
| 27 (CH3) | 8.9 |
| 28 (CH3) | 16 |
