Spektraris NMR
6b,7a-Diacetoxyroyleanone
Common Name: 6b,7a-Diacetoxyroyleanone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H32O7/c1-11(2)14-17(27)15-16(19(29)18(14)28)24(7)10-8-9-23(5,6)22(24)21(31-13(4)26)20(15)30-12(3)25/h11,20-22,28H,8-10H2,1-7H3/t20-,21+,22-,24+/m0/s1
InChIKey: InChIKey=IJUVPYONTOHMDC-HYVLGVRCSA-N
Formula: C24H32O7
Molecular Weight: 432.5076
Exact Mass: 432.214803
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Chang, C.I., Tseng, M.H., Kuo, Y.H. Chem Pharm Bull (2005) 53, 286-9
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Abietanes; 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) | 38.3 |
| 2 (CH2) | 18.9 |
| 3 (CH2) | 42.4 |
| 4 (C) | 33.5 |
| 5 (CH) | 48.9 |
| 6 (CH) | 67.1 |
| 7 (CH) | 65.2 |
| 8 (C) | 137 |
| 9 (C) | 149.3 |
| 10 (C) | 38.7 |
| 11 (C) | 183.2 |
| 12 (C) | 150.8 |
| 13 (C) | 124.8 |
| 14 (C) | 185.3 |
| 15 (CH) | 24.1 |
| 16 (CH3) | 19.7 |
| 17 (CH3) | 19.8 |
| 18 (CH3) | 33.2 |
| 19 (CH3) | 22.9 |
| 20 (CH3) | 20.8 |
| 6a (C) | 169 |
| 6b (CH3) | 21.2 |
| 7a (C) | 168.1 |
| 7b (CH3) | 21.2 |
