Spektraris NMR
Acutilol B
Common Name: Acutilol B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O2/c1-12(2)18(21)11-8-14(4)17-10-6-13(3)16-9-7-15(5)19(16)20(17)22/h7,12,14,17,19-20,22H,6,8-11H2,1-5H3/t14-,17+,19-,20-/m1/s1
InChIKey: InChIKey=HXCYOOITWWXZRA-IXMYUCAJSA-N
Formula: C20H32O2
Molecular Weight: 304.467632
Exact Mass: 304.24023
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Hardt, I.H., Fenical, W., Cronin, G., Hay, M.E. Phytochemistry (1996) 43, 71-3
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Prenylguaianes; 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) | 133.5 |
| 2 (CH2) | 36.5 |
| 3 (CH) | 122.4 |
| 4 (C) | 143.7 |
| 5 (CH) | 55.6 |
| 6 (CH) | 75.1 |
| 7 (CH) | 46.4 |
| 8 (CH2) | 21.1 |
| 9 (CH2) | 37.6 |
| 10 (C) | 126.3 |
| 11 (CH) | 33.5 |
| 12 (CH2) | 26.7 |
| 13 (CH2) | 37.3 |
| 14 (C) | 216.5 |
| 15 (CH) | 40.8 |
| 16 (CH3) | 18.2 |
| 17 (CH3) | 16.7 |
| 18 (CH3) | 21 |
| 19 (CH3) | 17.8 |
| 20 (CH3) | 18.3 |
