Spektraris NMR
3b-Acetoxy-14-n-butyryloxy-10-deoxyfloridanolide
Common Name: 3b-Acetoxy-14-n-butyryloxy-10-deoxyfloridanolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H32O8/c1-6-7-16(23)27-11-18(4)19(5,25)15-9-20(10-17(24)29-15)12(2)8-14(21(18,20)26)28-13(3)22/h12,14-15,25-26H,6-11H2,1-5H3/t12-,14+,15-,18-,19+,20-,21+/m1/s1
InChIKey: InChIKey=KXTWLLLCANDKEZ-WIEBGDBASA-N
Formula: C21H32O8
Molecular Weight: 412.474797
Exact Mass: 412.209718
NMR Solvent: CDCl3
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) | 37.2 |
| 2 (CH2) | 40 |
| 3 (CH) | 77.7 |
| 4 (C) | 86.5 |
| 5 (C) | 48.2 |
| 6 (C) | 77.2 |
| 7 (CH) | 82.8 |
| 8 (CH2) | 27.6 |
| 9 (C) | 45.7 |
| 10 (CH2) | 34.2 |
| 11 (C) | 171 |
| 12 (CH3) | 23.4 |
| 13 (CH3) | 13.5 |
| 14 (CH2) | 62.9 |
| 15 (CH3) | 14.3 |
| 3a (C) | 169.6 |
| 3b (CH3) | 21.7 |
| 14a (C) | 173.1 |
| 14b (CH2) | 36.1 |
| 14c (CH2) | 18.3 |
| 14d (CH3) | 13.7 |
