Spektraris NMR
6β-Hydroxy salacianone
Common Name: 6β-Hydroxy salacianone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H46O3/c1-17(2)23-19(31)15-27(5)13-14-29(7)18(24(23)27)9-10-21-28(6)12-11-22(33)26(3,4)25(28)20(32)16-30(21,29)8/h18,20-21,23-25,32H,1,9-16H2,2-8H3/t18-,20-,21-,23-,24+,25+,27+,28-,29-,30-/m1/s1
InChIKey: InChIKey=ZSJGWOBTYROSLO-GIYHRZDJSA-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) | 42.07 |
| 2 (CH2) | 34.38 |
| 3 (C) | 216.58 |
| 4 (C) | 48.93 |
| 5 (CH) | 56.55 |
| 6 (CH) | 69.45 |
| 7 (CH2) | 41.75 |
| 8 (C) | 40.13 |
| 9 (CH) | 50.48 |
| 10 (C) | 36.77 |
| 11 (CH2) | 21.01 |
| 12 (CH2) | 25.32 |
| 13 (CH) | 36.25 |
| 14 (C) | 42.93 |
| 15 (CH2) | 26.97 |
| 16 (CH2) | 34.73 |
| 17 (C) | 37.81 |
| 18 (CH) | 47.03 |
| 19 (CH) | 59 |
| 20 (C) | 143.38 |
| 21 (C) | 217.87 |
| 22 (CH2) | 55.33 |
| 23 (CH3) | 24.96 |
| 24 (CH3) | 23.7 |
| 25 (CH3) | 16.97 |
| 26 (CH3) | 16.89 |
| 27 (CH3) | 14.79 |
| 28 (CH3) | 18.67 |
| 29 (CH2) | 115.1 |
| 30 (CH3) | 20.83 |
