Spektraris NMR
Jaborosalactone 44
Common Name: Jaborosalactone 44
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H36O5/c1-15-13-22(33-25(31)16(15)2)17(3)28(32)12-11-20-19-10-9-18-7-6-8-23(29)26(18,4)21(19)14-24(30)27(20,28)5/h6,8-9,17,19-22,32H,7,10-14H2,1-5H3/t17-,19+,20+,21+,22-,26+,27-,28-/m1/s1
InChIKey: InChIKey=LODKXOXSZZXSNX-XUYMRLARSA-N
Formula: C28H36O5
Molecular Weight: 452.583497
Exact Mass: 452.256274
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ramacciotti, N.S., Nicotra, V.E. J Nat Prod (2007) 70, 1513-5
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) | 202.9 |
| 2 (CH) | 127.8 |
| 3 (CH) | 145.3 |
| 4 (CH2) | 33.3 |
| 5 (C) | 135.8 |
| 6 (CH) | 124.1 |
| 7 (CH2) | 30.4 |
| 8 (CH) | 32.2 |
| 9 (CH) | 42.3 |
| 10 (C) | 50.7 |
| 11 (CH2) | 40 |
| 12 (C) | 214.2 |
| 13 (C) | 59 |
| 14 (CH) | 48.5 |
| 15 (CH2) | 23 |
| 16 (CH2) | 33.1 |
| 17 (C) | 83.6 |
| 18 (CH3) | 18 |
| 19 (CH3) | 18.5 |
| 20 (CH) | 43.6 |
| 21 (CH3) | 14 |
| 22 (CH) | 78.4 |
| 23 (CH2) | 34.1 |
| 24 (C) | 149.5 |
| 25 (C) | 121.7 |
| 26 (C) | 165.8 |
| 27 (CH3) | 12.3 |
| 28 (CH3) | 20.4 |
