Spektraris NMR
Malonyloxymanoyl oxide
Common Name: Malonyloxymanoyl oxide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H36O5/c1-7-21(4)12-9-16-22(5)11-8-10-20(2,3)19(22)15(14-23(16,6)28-21)27-18(26)13-17(24)25/h7,15-16,19H,1,8-14H2,2-6H3,(H,24,25)/t15-,16+,19-,21-,22+,23+/m0/s1
InChIKey: InChIKey=JZRGFUZJIZSKTF-ALFLKXBZSA-N
Formula: C23H36O5
Molecular Weight: 392.529817
Exact Mass: 392.256274
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 (CH2) | 43.3 |
| 4 (C) | 33.2 |
| 5 (CH) | 58.6 |
| 6 (CH) | 72.4 |
| 7 (CH2) | 49.2 |
| 8 (C) | 74.3 |
| 9 (CH) | 54 |
| 10 (C) | 37.9 |
| 11 (CH2) | 15.4 |
| 12 (CH2) | 34.6 |
| 13 (C) | 73.5 |
| 14 (CH) | 147.5 |
| 15 (CH2) | 110.9 |
| 16 (CH3) | 29.3 |
| 17 (CH3) | 25.9 |
| 18 (CH3) | 36.2 |
| 19 (CH3) | 22.7 |
| 20 (CH3) | 16.5 |
| 6a (C) | 173.9 |
| 6b (CH2) | 43.6 |
| 6c (C) | 171.1 |
