Spektraris NMR
Salacianol
Common Name: Salacianol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O2/c1-18(2)24-20(31)17-27(5)15-16-29(7)19(25(24)27)9-10-22-28(6)13-12-23(32)26(3,4)21(28)11-14-30(22,29)8/h19-22,24-25,31H,1,9-17H2,2-8H3/t19-,20+,21+,22-,24-,25+,27+,28+,29-,30-/m1/s1
InChIKey: InChIKey=NVVNESBGININNL-HZIWWVGDSA-N
Formula: C30H48O2
Molecular Weight: 440.702043
Exact Mass: 440.365431
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Hisham, A., Kumar, G.J., Fujimoto, Y., Hara, N. Phytochemistry (1995) 40, 1227-31
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Lupanes; 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 (CH2) | 39.6 |
| 2 (CH2) | 34.1 |
| 3 (C) | 218.1 |
| 4 (C) | 47.3 |
| 5 (CH) | 54.9 |
| 6 (CH2) | 19.6 |
| 7 (CH2) | 33.4 |
| 8 (C) | 40.8 |
| 9 (CH) | 49.7 |
| 10 (C) | 36.8 |
| 11 (CH2) | 21.4 |
| 12 (CH2) | 24.7 |
| 13 (CH) | 37.6 |
| 14 (C) | 42.6 |
| 15 (CH2) | 27.1 |
| 16 (CH2) | 35.6 |
| 17 (C) | 41.9 |
| 18 (CH) | 48 |
| 19 (CH) | 59.8 |
| 20 (C) | 148.3 |
| 21 (CH) | 77.7 |
| 22 (CH2) | 49.3 |
| 23 (CH3) | 26.6 |
| 24 (CH3) | 21 |
| 25 (CH3) | 15.9 |
| 26 (CH3) | 15.8 |
| 27 (CH3) | 14.4 |
| 28 (CH3) | 19.7 |
| 29 (CH2) | 111.3 |
| 30 (CH3) | 19.7 |
