Spektraris NMR
Jaborosalactone 43
Common Name: Jaborosalactone 43
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H36O6/c1-15-13-27(33-23(30)16(15)2)17(3)26(31)12-11-20-19-10-9-18-7-6-8-22(29)24(18,4)21(19)14-28(32,34-27)25(20,26)5/h6,8-9,17,19-21,31-32H,7,10-14H2,1-5H3/t17-,19-,20-,21-,24-,25-,26+,27+,28-/m0/s1
InChIKey: InChIKey=DVAOZDXOONOKIG-WJKLUFFNSA-N
Formula: C28H36O6
Molecular Weight: 468.582902
Exact Mass: 468.251189
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) | 203.7 |
| 2 (CH) | 127.7 |
| 3 (CH) | 145.3 |
| 4 (CH2) | 33.3 |
| 5 (C) | 135.9 |
| 6 (CH) | 124.1 |
| 7 (CH2) | 29.8 |
| 8 (CH) | 32.3 |
| 9 (CH) | 40.4 |
| 10 (C) | 50 |
| 11 (CH2) | 37.2 |
| 12 (C) | 100.1 |
| 13 (C) | 47.5 |
| 14 (CH) | 47.8 |
| 15 (CH2) | 21.9 |
| 16 (CH2) | 34.1 |
| 17 (C) | 78.9 |
| 18 (CH3) | 12.1 |
| 19 (CH3) | 18.7 |
| 20 (CH) | 40.7 |
| 21 (CH3) | 10 |
| 22 (C) | 103.5 |
| 23 (CH2) | 39.3 |
| 24 (C) | 147.2 |
| 25 (C) | 120.1 |
| 26 (C) | 165 |
| 27 (CH3) | 11.9 |
| 28 (CH3) | 20.4 |
