Spektraris NMR
13α-Acetoxypukalide
Common Name: 13α-Acetoxypukalide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H26O8/c1-11(2)13-6-17(28-12(3)24)15-8-14(29-22(15)26)10-23(4)20(31-23)19-9-16(21(25)27-5)18(7-13)30-19/h8-9,13-14,17,20H,1,6-7,10H2,2-5H3/t13-,14-,17-,20-,23+/m0/s1
InChIKey: InChIKey=WJKBXPONHMNWTM-WCIIELQWSA-N
Formula: C23H26O8
Molecular Weight: 430.448625
Exact Mass: 430.162768
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Grote, D., Dahse, H.M., Seifert, K. Chem Biodivers (2008) 5, 2449-56
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Cembranes; 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 (CH) | 36.8 |
| 2 (CH2) | 34.2 |
| 3 (C) | 160 |
| 4 (C) | 114.1 |
| 5 (CH) | 106.8 |
| 6 (C) | 148.1 |
| 7 (CH) | 54.9 |
| 8 (C) | 56.7 |
| 9 (CH2) | 39.8 |
| 10 (CH) | 77.6 |
| 11 (CH) | 150.9 |
| 12 (C) | 134.9 |
| 13 (CH) | 68.8 |
| 14 (CH2) | 35.9 |
| 15 (C) | 148.9 |
| 16 (CH2) | 110.9 |
| 17 (CH3) | 20.7 |
| 18 (C) | 164 |
| 19 (CH3) | 19.7 |
| 20 (C) | 170.5 |
| 13a (C) | 170.3 |
| 13b (CH3) | 20.6 |
| 18a (CH3) | 51.4 |
