Spektraris NMR
19-Acetylagathadiol
Common Name: 19-Acetylagathadiol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H36O3/c1-16(11-14-23)7-9-19-17(2)8-10-20-21(4,15-25-18(3)24)12-6-13-22(19,20)5/h11,19-20,23H,2,6-10,12-15H2,1,3-5H3/b16-11+/t19-,20-,21+,22+/m0/s1
InChIKey: InChIKey=ZSQKSEACUBGYHI-LCSZQOBJSA-N
Formula: C22H36O3
Molecular Weight: 348.520272
Exact Mass: 348.266445
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) | 38.9 |
| 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) | 147.8 |
| 9 (CH) | 56.3 |
| 10 (C) | 39.5 |
| 11 (CH2) | 21.8 |
| 12 (CH2) | 38.5 |
| 13 (C) | 140.4 |
| 14 (CH) | 123.1 |
| 15 (CH2) | 59.4 |
| 16 (CH3) | 16.3 |
| 17 (CH2) | 106.7 |
| 18 (CH3) | 27.5 |
| 19 (CH2) | 66.8 |
| 20 (CH3) | 15.2 |
| 19a (C) | 171.3 |
| 19b (CH3) | 21 |
