Spektraris NMR
15a-Hydroxyglycyrrhetinic acid
Common Name: 15a-Hydroxyglycyrrhetinic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H46O5/c1-25(2)20-8-11-29(6)23(28(20,5)10-9-21(25)32)19(31)14-17-18-15-27(4,24(34)35)13-12-26(18,3)16-22(33)30(17,29)7/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=AZNYAQQKSCLRPZ-IBEPVXCASA-N
Formula: C30H46O5
Molecular Weight: 486.684376
Exact Mass: 486.334525
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) | 39.1 |
| 2 (CH2) | 27.2 |
| 3 (CH) | 78.7 |
| 4 (C) | 39 |
| 5 (CH) | 54.6 |
| 6 (CH2) | 17.6 |
| 7 (CH2) | 36 |
| 8 (C) | 46.8 |
| 9 (CH) | 61.7 |
| 10 (C) | 37.1 |
| 11 (C) | 200.2 |
| 12 (CH) | 129 |
| 13 (C) | 169.1 |
| 14 (C) | 48.6 |
| 15 (CH) | 67.9 |
| 16 (CH2) | 37.1 |
| 17 (C) | 32.4 |
| 18 (CH) | 48.7 |
| 19 (CH2) | 40.4 |
| 20 (C) | 43.6 |
| 21 (CH2) | 30.8 |
| 22 (CH2) | 37.4 |
| 23 (CH3) | 28 |
| 24 (CH3) | 15.6 |
| 25 (CH3) | 16.3 |
| 26 (CH3) | 19.3 |
| 27 (CH3) | 18.2 |
| 28 (CH3) | 29 |
| 29 (CH3) | 28.4 |
| 30 (C) | 181 |
