Spektraris NMR
Florether B
Common Name: Florether B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O4/c1-14(2)5-4-8-20(13-21)15-6-9-18(3)12-19(23,10-7-17(18)22)16(15)11-24-20/h4-5,8,15-17,21-23H,6-7,9-13H2,1-3H3/b8-4+/t15-,16+,17-,18-,19+,20+/m0/s1
InChIKey: InChIKey=KRPQZWFQTXTNJO-RCQOTZDXSA-N
Formula: C20H32O4
Molecular Weight: 336.466442
Exact Mass: 336.23006
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Iwagawa, T., Kawasaki, J., Hase, T. J Nat Prod (1998) 61, 1513-5
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Xenicanes; 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 (C) | 72.9 |
| 2 (CH) | 57 |
| 3 (CH) | 45.3 |
| 4 (CH2) | 26.4 |
| 5 (CH2) | 39 |
| 6 (C) | 39 |
| 7 (CH) | 75.2 |
| 8 (CH2) | 27 |
| 9 (CH2) | 28.9 |
| 10 (C) | 89.5 |
| 11 (CH) | 125.9 |
| 12 (CH) | 129.2 |
| 13 (CH) | 130 |
| 14 (C) | 135.7 |
| 15 (CH3) | 18.3 |
| 16 (CH3) | 26.1 |
| 17 (CH2) | 65.9 |
| 18 (CH2) | 69.2 |
| 19 (CH2) | 45.5 |
| 20 (CH3) | 31.6 |
