Spektraris NMR
Salacianone
Common Name: Salacianone
Synonyms: Salacianone
CAS Registry Number:
InChI: InChI=1S/C30H46O2/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/h19,21-22,24-25H,1,9-17H2,2-8H3/t19-,21+,22-,24-,25+,27+,28+,29-,30-/m1/s1
InChIKey: InChIKey=KOVFRHJTOSDXPV-RJYFKMOXSA-N
Formula: C30H46O2
Molecular Weight: 438.686161
Exact Mass: 438.349781
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Hisham, A., Kumar, G.J., Fujimoto, Y., Hara, N. Phytochemistry (1996) 42, 789-94
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) | 39.53 |
| 2 (CH2) | 34.05 |
| 3 (C) | 217.68 |
| 4 (C) | 47.28 |
| 5 (CH) | 54.9 |
| 6 (CH2) | 19.57 |
| 7 (CH2) | 33.23 |
| 8 (C) | 40.85 |
| 9 (CH) | 49.56 |
| 10 (C) | 36.84 |
| 11 (CH2) | 21.22 |
| 12 (CH2) | 25.3 |
| 13 (CH) | 37.25 |
| 14 (C) | 42.72 |
| 15 (CH2) | 26.9 |
| 16 (CH2) | 34.81 |
| 17 (C) | 37.83 |
| 18 (CH) | 46.96 |
| 19 (CH) | 59.01 |
| 20 (C) | 143.43 |
| 21 (C) | 217.81 |
| 22 (CH2) | 55.37 |
| 23 (CH3) | 26.6 |
| 24 (CH3) | 20.99 |
| 25 (CH3) | 15.89 |
| 26 (CH3) | 15.73 |
| 27 (CH3) | 14.49 |
| 28 (CH3) | 18.69 |
| 29 (CH2) | 114.95 |
| 30 (CH3) | 20.81 |
