Spektraris NMR
Jaborosalactone 4
Common Name: Jaborosalactone 4
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H32O7/c1-13-14(2)28(35-23(13)32)22(31)16(12-29)18-8-7-17-15-10-21-26(34-21)9-5-6-20(30)25(26,4)19(15)11-27(28,33)24(17,18)3/h5-6,15,17,19,21,29,33H,7-12H2,1-4H3/t15-,17-,19-,21+,24-,25-,26+,27+,28-/m0/s1
InChIKey: InChIKey=SBNWCYKGUDBJMB-TWAXEHJUSA-N
Formula: C28H32O7
Molecular Weight: 480.550544
Exact Mass: 480.214803
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) | 202.7 |
| 2 (CH) | 128.9 |
| 3 (CH) | 144.4 |
| 4 (CH2) | 32.9 |
| 5 (C) | 61.8 |
| 6 (CH) | 63.6 |
| 7 (CH2) | 29.6 |
| 8 (CH) | 29.4 |
| 9 (CH) | 42 |
| 10 (C) | 47.8 |
| 11 (CH2) | 35.9 |
| 12 (C) | 75.3 |
| 13 (C) | 48.7 |
| 14 (CH) | 46.6 |
| 15 (CH2) | 23.3 |
| 16 (CH2) | 25.3 |
| 17 (C) | 166.6 |
| 18 (CH3) | 14.5 |
| 19 (CH3) | 15.1 |
| 20 (C) | 127.6 |
| 21 (CH2) | 58.5 |
| 22 (C) | 193 |
| 23 (C) | 91.2 |
| 24 (C) | 159.9 |
| 25 (C) | 128.3 |
| 26 (C) | 173 |
| 27 (CH3) | 9 |
| 28 (CH3) | 16 |
