Spektraris NMR
28-Hydroxytaraxer-14-en-3-one
Common Name: 28-Hydroxytaraxer-14-en-3-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O2/c1-25(2)16-17-30(19-31)15-10-22-28(6)12-8-20-26(3,4)24(32)11-14-27(20,5)21(28)9-13-29(22,7)23(30)18-25/h10,20-21,23,31H,8-9,11-19H2,1-7H3/t20-,21+,23-,27-,28+,29+,30-/m0/s1
InChIKey: InChIKey=YZWJBLKYECYVAO-UONZCJHPSA-N
Formula: C30H48O2
Molecular Weight: 440.702043
Exact Mass: 440.365431
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Sakuri N., Yaguchi Y., Inoue T. Phytochemistry (1987) 26, 217
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Taraxeranes; 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) | 38.3 |
| 2 (CH2) | 34 |
| 3 (C) | 217.2 |
| 4 (C) | 47.5 |
| 5 (CH) | 55.7 |
| 6 (CH2) | 19.9 |
| 7 (CH2) | 35.8 |
| 8 (C) | 39 |
| 9 (CH) | 48.6 |
| 10 (C) | 37.5 |
| 11 (CH2) | 17.3 |
| 12 (CH2) | 30.7 |
| 13 (C) | 37.7 |
| 14 (C) | 158.5 |
| 15 (CH) | 116 |
| 16 (CH2) | 32.6 |
| 17 (C) | 40.3 |
| 18 (CH) | 44.9 |
| 19 (CH2) | 40.6 |
| 20 (C) | 28.5 |
| 21 (CH2) | 33.3 |
| 22 (CH2) | 27.9 |
| 23 (CH3) | 26.1 |
| 24 (CH3) | 21.6 |
| 25 (CH3) | 14.8 |
| 26 (CH3) | 29.8 |
| 27 (CH3) | 25.7 |
| 28 (CH2) | 65.4 |
| 29 (CH3) | 33.5 |
| 30 (CH3) | 21.4 |
