Spektraris NMR
13-Acetoxy-14-(n-butyryloxy)floridanolide
Common Name: 13-Acetoxy-14-(n-butyryloxy)floridanolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H32O9/c1-5-6-15(23)29-11-19(10-28-13(3)22)18(4,26)14-9-20(16(24)17(25)30-14)12(2)7-8-21(19,20)27/h12,14,16,24,26-27H,5-11H2,1-4H3/t12-,14-,16+,18+,19-,20+,21+/m1/s1
InChIKey: InChIKey=MIFYTBIFCJREKB-JDXLGCFUSA-N
Formula: C21H32O9
Molecular Weight: 428.474202
Exact Mass: 428.204633
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Schmidt, T.J., Schmidt, H.M., Muller, E., Peters, W., Fronczek, F.R., Truesdale, A., Fischer, N.H. J Nat Prod (1998) 61, 230-6
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Prezizaanes; 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) | 39 |
| 2 (CH2) | 31.3 |
| 3 (CH2) | 33.2 |
| 4 (C) | 88.9 |
| 5 (C) | 49.7 |
| 6 (C) | 76.8 |
| 7 (CH) | 84.2 |
| 8 (CH2) | 27.8 |
| 9 (C) | 51 |
| 10 (CH) | 71.1 |
| 11 (C) | 175.7 |
| 12 (CH3) | 23.8 |
| 13 (CH2) | 64.2 |
| 14 (CH2) | 62.5 |
| 15 (CH3) | 14.4 |
| 13a (C) | 170.6 |
| 13b (CH3) | 20.9 |
| 14a (C) | 172.5 |
| 14b (CH2) | 36.3 |
| 14c (CH2) | 18.5 |
| 14d (CH3) | 13.7 |
