Spektraris NMR
16alpha-hydroxyeburiconic acid
Common Name: 16alpha-hydroxyeburiconic acid
Synonyms: 16alpha-hydroxyeburiconic acid
CAS Registry Number:
InChI: InChI=1S/C31H48O4/c1-18(2)19(3)9-10-20(27(34)35)26-23(32)17-31(8)22-11-12-24-28(4,5)25(33)14-15-29(24,6)21(22)13-16-30(26,31)7/h18,20,23-24,26,32H,3,9-17H2,1-2,4-8H3,(H,34,35)/t20-,23-,24+,26+,29-,30-,31+/m1/s1
InChIKey: InChIKey=MUTPNNQAZRJDSK-WMNQUVFJSA-N
Formula: C31H48O4
Molecular Weight: 484.711589
Exact Mass: 484.35526
NMR Solvent: C5D5N
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) | 35.72 |
| 2 (CH2) | 34.29 |
| 3 (C) | 215.83 |
| 4 (C) | 46.95 |
| 5 (CH) | 50.9 |
| 6 (CH2) | 19.22 |
| 7 (CH2) | 26.27 |
| 8 (C) | 133 |
| 9 (C) | 135.26 |
| 10 (C) | 36.69 |
| 11 (CH2) | 20.51 |
| 12 (CH2) | 29.25 |
| 13 (C) | 45.82 |
| 14 (C) | 48.48 |
| 15 (CH2) | 43.31 |
| 16 (CH) | 76.17 |
| 17 (CH) | 56.93 |
| 18 (CH3) | 17.44 |
| 19 (CH3) | 18.22 |
| 20 (CH) | 48.27 |
| 21 (C) | 178.37 |
| 22 (CH2) | 31.18 |
| 23 (CH2) | 32.83 |
| 24 (C) | 155.69 |
| 25 (CH) | 33.73 |
| 26 (CH3) | 21.63 |
| 27 (CH3) | 21.48 |
| 28 (CH3) | 20.93 |
| 29 (CH3) | 26 |
| 30 (CH3) | 25 |
| 24a (CH2) | 106.64 |
