Spektraris NMR
Platycodigenin
Common Name: Platycodigenin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O7/c1-25(2)10-11-30(24(36)37)18(12-25)17-6-7-20-26(3)13-19(33)23(35)29(15-31,16-32)21(26)8-9-27(20,4)28(17,5)14-22(30)34/h6,18-23,31-35H,7-16H2,1-5H3,(H,36,37)/t18-,19-,20+,21+,22+,23-,26+,27+,28+,30+/m0/s1
InChIKey: InChIKey=APTNOIWSCDBIAS-PCHRGASXSA-N
Formula: C30H48O7
Molecular Weight: 520.699068
Exact Mass: 520.340004
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ageta M., Nonaka G., Nishioka I. Chem Pharm Bull (1988) 36, 1646
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) | 41.8 |
| 2 (CH) | 69.3 |
| 3 (CH) | 71.9 |
| 4 (C) | 43.7 |
| 5 (CH) | 47.6 |
| 6 (CH2) | 19.1 |
| 7 (CH2) | 33.8 |
| 8 (C) | 39.9 |
| 9 (CH) | 47.9 |
| 10 (C) | 36.7 |
| 11 (CH2) | 23.6 |
| 12 (CH) | 123.4 |
| 13 (C) | 142.4 |
| 14 (C) | 39.7 |
| 15 (CH2) | 32.2 |
| 16 (CH) | 76.2 |
| 17 (C) | 47.7 |
| 18 (CH) | 40.6 |
| 19 (CH2) | 46.2 |
| 20 (C) | 30.1 |
| 21 (CH2) | 35.2 |
| 22 (CH2) | 31 |
| 23 (CH2) | 62.9 |
| 24 (CH2) | 63.9 |
| 25 (CH3) | 16.4 |
| 26 (CH3) | 16.9 |
| 27 (CH3) | 26.4 |
| 28 (C) | 176 |
| 29 (CH3) | 33.2 |
| 30 (CH3) | 24.3 |
