Spektraris NMR
3-Oxo-7 ?-hydroxyglycyrrhetinic acid
Common Name: 3-Oxo-7 ?-hydroxyglycyrrhetinic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H44O5/c1-25(2)20-15-22(33)30(7)23(28(20,5)9-8-21(25)32)19(31)14-17-18-16-27(4,24(34)35)11-10-26(18,3)12-13-29(17,30)6/h14,18,20,22-23,33H,8-13,15-16H2,1-7H3,(H,34,35)/t18-,20-,22-,23+,26+,27-,28-,29+,30+/m0/s1
InChIKey: InChIKey=ZKKYLKFYKWOADW-XLWNCKIFSA-N
Formula: C30H44O5
Molecular Weight: 484.668495
Exact Mass: 484.318875
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Xin, X., Liu, Y., Ye, M., Guo, H., Guo, D. Planta Med (2006) 72, 156-61
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Oleananes; 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) | 39.2 |
| 2 (CH2) | 34.1 |
| 3 (C) | 216.7 |
| 4 (C) | 47.4 |
| 5 (CH) | 52.2 |
| 6 (CH2) | 30.1 |
| 7 (CH) | 72.1 |
| 8 (C) | 50.3 |
| 9 (CH) | 61.1 |
| 10 (C) | 36.7 |
| 11 (C) | 198.7 |
| 12 (CH) | 128.5 |
| 13 (C) | 169.7 |
| 14 (C) | 44.6 |
| 15 (CH2) | 29.9 |
| 16 (CH2) | 26.6 |
| 17 (C) | 31.8 |
| 18 (CH) | 48.9 |
| 19 (CH2) | 41 |
| 20 (C) | 43.8 |
| 21 (CH2) | 30.9 |
| 22 (CH2) | 37.5 |
| 23 (CH3) | 26.2 |
| 24 (CH3) | 21.4 |
| 25 (CH3) | 15.3 |
| 26 (CH3) | 12.2 |
| 27 (CH3) | 23.6 |
| 28 (CH3) | 28.5 |
| 29 (CH3) | 28.4 |
| 30 (C) | 181.1 |
