Spektraris NMR
6β-Hydroxyglycyrrhetinic acid
Common Name: 6β-Hydroxyglycyrrhetinic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H46O5/c1-25(2)21(33)8-9-28(5)22(25)20(32)16-30(7)23(28)19(31)14-17-18-15-27(4,24(34)35)11-10-26(18,3)12-13-29(17,30)6/h14,18,20-23,32-33H,8-13,15-16H2,1-7H3,(H,34,35)/t18-,20+,21-,22-,23+,26+,27-,28-,29+,30+/m0/s1
InChIKey: InChIKey=ZFIIMONKSBSTTA-PXAPVOGOSA-N
Formula: C30H46O5
Molecular Weight: 486.684376
Exact Mass: 486.334525
NMR Solvent: CD3OD
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) | 42.6 |
| 2 (CH2) | 28.5 |
| 3 (CH) | 80.3 |
| 4 (C) | 38.5 |
| 5 (CH) | 57 |
| 6 (CH) | 68.1 |
| 7 (CH2) | 41.7 |
| 8 (C) | 41.6 |
| 9 (CH) | 64 |
| 10 (C) | 46.4 |
| 11 (C) | 203 |
| 12 (CH) | 129.7 |
| 13 (C) | 172.9 |
| 14 (C) | 45.4 |
| 15 (CH2) | 28.1 |
| 16 (CH2) | 27.9 |
| 17 (C) | 33.5 |
| 18 (CH) | 50.4 |
| 19 (CH2) | 43 |
| 20 (C) | 45.4 |
| 21 (CH2) | 32.5 |
| 22 (CH2) | 39.5 |
| 23 (CH3) | 28.8 |
| 24 (CH3) | 18 |
| 25 (CH3) | 18.8 |
| 26 (CH3) | 20.5 |
| 27 (CH3) | 24.4 |
| 28 (CH3) | 29.7 |
| 29 (CH3) | 29.3 |
| 30 (C) | 180.9 |
