Spektraris NMR
ergosterol peroxide
Common Name: ergosterol peroxide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H44O3/c1-18(2)19(3)7-8-20(4)22-9-10-23-25(22,5)13-12-24-26(6)14-11-21(29)17-27(26)15-16-28(23,24)31-30-27/h7-8,15-16,18-24,29H,9-14,17H2,1-6H3/b8-7+/t19-,20+,21-,22+,23+,24+,25+,26+,27+,28-/m0/s1
InChIKey: InChIKey=VXOZCESVZIRHCJ-KGHQQZOUSA-N
Formula: C28H44O3
Molecular Weight: 428.648213
Exact Mass: 428.329045
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rosecke, J., Konig, W.A. Phytochemistry (2000) 54, 757-62
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Lanostanes; 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) | 34.69 |
| 2 (CH2) | 30.08 |
| 3 (CH) | 66.46 |
| 4 (CH2) | 36.9 |
| 5 (C) | 82.16 |
| 6 (CH) | 135.42 |
| 7 (CH) | 130.73 |
| 8 (C) | 79.43 |
| 9 (CH) | 51.08 |
| 10 (C) | 36.96 |
| 11 (CH2) | 23.4 |
| 12 (CH2) | 39.74 |
| 13 (C) | 44.56 |
| 14 (CH) | 51.68 |
| 15 (CH2) | 20.63 |
| 16 (CH2) | 28.64 |
| 17 (CH) | 56.2 |
| 18 (CH3) | 12.87 |
| 19 (CH3) | 18.17 |
| 20 (CH) | 39.74 |
| 21 (CH3) | 20.88 |
| 22 (CH) | 135.2 |
| 23 (CH) | 132.3 |
| 24 (CH) | 42.77 |
| 25 (CH) | 33.06 |
| 26 (CH3) | 19.64 |
| 27 (CH3) | 19.95 |
| 28 (CH3) | 17.56 |
