Spektraris NMR
15,19-Diacetylagathadiol
Common Name: 15,19-Diacetylagathadiol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H38O4/c1-17(12-15-27-19(3)25)8-10-21-18(2)9-11-22-23(5,16-28-20(4)26)13-7-14-24(21,22)6/h12,21-22H,2,7-11,13-16H2,1,3-6H3/b17-12+/t21-,22-,23+,24+/m0/s1
InChIKey: InChIKey=LBHXIQMBWNFUCB-AOYOYUNPSA-N
Formula: C24H38O4
Molecular Weight: 390.55703
Exact Mass: 390.27701
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Su, W.C., Fang, J.M., Cheng, Y.S. Phytochemistry (1994) 37, 1109-14
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 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) | 38.8 |
| 2 (CH2) | 18.9 |
| 3 (CH2) | 36.2 |
| 4 (C) | 37.3 |
| 5 (CH) | 56.2 |
| 6 (CH2) | 24.4 |
| 7 (CH2) | 38.3 |
| 8 (C) | 147.7 |
| 9 (CH) | 56.2 |
| 10 (C) | 39.5 |
| 11 (CH2) | 21.7 |
| 12 (CH2) | 38.5 |
| 13 (C) | 142.9 |
| 14 (CH) | 118.1 |
| 15 (CH2) | 61.4 |
| 16 (CH3) | 16.5 |
| 17 (CH2) | 106.7 |
| 18 (CH3) | 27.5 |
| 19 (CH2) | 66.8 |
| 20 (CH3) | 15.3 |
| 15a (C) | 171.1 |
| 15b (CH3) | 21 |
| 19a (C) | 171.3 |
| 19b (CH3) | 21.1 |
