Spektraris NMR
Malonyloxy-n-butyl ester manoyl oxide
Common Name: Malonyloxy-n-butyl ester manoyl oxide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H44O5/c1-8-10-16-30-21(28)17-22(29)31-19-18-27(7)20(12-15-25(5,9-2)32-27)26(6)14-11-13-24(3,4)23(19)26/h9,19-20,23H,2,8,10-18H2,1,3-7H3/t19-,20+,23-,25-,26+,27+/m0/s1
InChIKey: InChIKey=FLQJTWRILTVLCE-ZSTIODBZSA-N
Formula: C27H44O5
Molecular Weight: 448.636287
Exact Mass: 448.318875
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - da Silva, L.L.D., Nascimento, M.S., Cavalheiro, A.J., Silva, D.H.S., Castro-Gamboa, I., Furlan, M., Bolzani, V.D. J Nat Prod (2008) 71, 1291-3
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) | 38.7 |
| 2 (CH2) | 18.3 |
| 3 (CH2) | 43.7 |
| 4 (C) | 33 |
| 5 (CH) | 58.6 |
| 6 (CH) | 72.4 |
| 7 (CH2) | 49.5 |
| 8 (C) | 73.9 |
| 9 (CH) | 54.7 |
| 10 (C) | 37.8 |
| 11 (CH2) | 15.6 |
| 12 (CH2) | 34.6 |
| 13 (C) | 73.4 |
| 14 (CH) | 147.4 |
| 15 (CH2) | 110.3 |
| 16 (CH3) | 29.4 |
| 17 (CH3) | 27 |
| 18 (CH3) | 36.1 |
| 19 (CH3) | 22.1 |
| 20 (CH3) | 16.6 |
| 6a (C) | 166.9 |
| 6b (CH2) | 42.5 |
| 6c (C) | 165.6 |
| 6e (CH2) | 65.6 |
| 6f (CH2) | 36.1 |
| 6g (CH2) | 19.9 |
| 6h (CH3) | 13.8 |
