Spektraris NMR
3-O-Acetyl-7?-hydroxyglycerrhetinic acid
Common Name: 3-O-Acetyl-7?-hydroxyglycerrhetinic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H48O6/c1-18(33)38-24-9-10-30(6)22(27(24,2)3)16-23(35)32(8)25(30)21(34)15-19-20-17-29(5,26(36)37)12-11-28(20,4)13-14-31(19,32)7/h15,20,22-25,35H,9-14,16-17H2,1-8H3,(H,36,37)/t20-,22-,23-,24-,25+,28+,29-,30-,31+,32+/m0/s1
InChIKey: InChIKey=YUCLJLINABKICT-KBHCJVKZSA-N
Formula: C32H48O6
Molecular Weight: 528.721134
Exact Mass: 528.345089
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) | 38.4 |
| 2 (CH2) | 23.5 |
| 3 (CH) | 80.3 |
| 4 (C) | 37.8 |
| 5 (CH) | 51.7 |
| 6 (CH2) | 28.7 |
| 7 (CH) | 72.4 |
| 8 (C) | 50.5 |
| 9 (CH) | 61.8 |
| 10 (C) | 36.9 |
| 11 (C) | 199.3 |
| 12 (CH) | 128.6 |
| 13 (C) | 169.2 |
| 14 (C) | 44.5 |
| 15 (CH2) | 30 |
| 16 (CH2) | 26.6 |
| 17 (C) | 31.7 |
| 18 (CH) | 48.8 |
| 19 (CH2) | 41 |
| 20 (C) | 43.8 |
| 21 (CH2) | 30.9 |
| 22 (CH2) | 37.6 |
| 23 (CH3) | 28 |
| 24 (CH3) | 16.7 |
| 25 (CH3) | 16 |
| 26 (CH3) | 12.2 |
| 27 (CH3) | 23.6 |
| 28 (CH3) | 28.5 |
| 29 (CH3) | 28.4 |
| 30 (C) | 180.9 |
| 3a (C) | 171.1 |
| 3b (CH3) | 21.3 |
