Spektraris NMR
20,29-Epoxysalacianone
Common Name: 20,29-Epoxysalacianone
Synonyms: 20,29-Epoxysalacianone
CAS Registry Number:
InChI: InChI=1S/C30H46O3/c1-25(2)20-10-13-29(6)21(27(20,4)12-11-22(25)32)9-8-18-23-24(30(7)17-33-30)19(31)16-26(23,3)14-15-28(18,29)5/h18,20-21,23-24H,8-17H2,1-7H3/t18-,20+,21-,23+,24-,26+,27+,28-,29-,30?/m1/s1
InChIKey: InChIKey=XYMTUOZCBZSMBK-FXCVZCGASA-N
Formula: C30H46O3
Molecular Weight: 454.685566
Exact Mass: 454.344695
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) | 39.54 |
| 2 (CH2) | 34.12 |
| 3 (C) | 217 |
| 4 (C) | 47.31 |
| 5 (CH) | 54.83 |
| 6 (CH2) | 19.59 |
| 7 (CH2) | 33.26 |
| 8 (C) | 40.94 |
| 9 (CH) | 49.51 |
| 10 (C) | 36.85 |
| 11 (CH2) | 21.47 |
| 12 (CH2) | 26.99 |
| 13 (CH) | 36.78 |
| 14 (C) | 42.83 |
| 15 (CH2) | 26.98 |
| 16 (CH2) | 34.63 |
| 17 (C) | 37.96 |
| 18 (CH) | 46.55 |
| 19 (CH) | 54.69 |
| 20 (C) | 56.34 |
| 21 (C) | 218.02 |
| 22 (CH2) | 51.31 |
| 23 (CH3) | 24.65 |
| 24 (CH3) | 21.04 |
| 25 (CH3) | 15.79 |
| 26 (CH3) | 15.97 |
| 27 (CH3) | 14.54 |
| 28 (CH3) | 18.93 |
| 29 (CH2) | 55.52 |
| 30 (CH3) | 21.93 |
