Spektraris NMR
Acetoxymanoyl oxide
Common Name: Acetoxymanoyl oxide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H36O3/c1-8-20(5)13-10-17-21(6)12-9-11-19(3,4)18(21)16(24-15(2)23)14-22(17,7)25-20/h8,16-18H,1,9-14H2,2-7H3/t16-,17+,18-,20-,21+,22+/m0/s1
InChIKey: InChIKey=BUUWAVBPGOHICZ-JPKYEYPISA-N
Formula: C22H36O3
Molecular Weight: 348.520272
Exact Mass: 348.266445
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) | 18.1 |
| 3 (CH2) | 43.3 |
| 4 (C) | 33.6 |
| 5 (CH) | 58.8 |
| 6 (CH) | 70.8 |
| 7 (CH2) | 49.8 |
| 8 (C) | 74 |
| 9 (CH) | 54.1 |
| 10 (C) | 37.8 |
| 11 (CH2) | 15.4 |
| 12 (CH2) | 34.6 |
| 13 (C) | 73.5 |
| 14 (CH) | 147.5 |
| 15 (CH2) | 110.4 |
| 16 (CH3) | 29.1 |
| 17 (CH3) | 26.9 |
| 18 (CH3) | 36 |
| 19 (CH3) | 21.8 |
| 20 (CH3) | 16.4 |
| 6a (C) | 170 |
| 6b (CH3) | 21.9 |
