Spektraris NMR
Acutilol A
Common Name: Acutilol A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O2/c1-12-6-10-16(13(2)8-11-17-20(4,5)22-17)19(21)18-14(3)7-9-15(12)18/h7,13,16-19,21H,6,8-11H2,1-5H3/t13-,16+,17?,18-,19-/m1/s1
InChIKey: InChIKey=YBQDGKYVLDZIDN-SGKAGNBOSA-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) | 133.8 |
| 2 (CH2) | 36.8 |
| 3 (CH) | 123.3 |
| 4 (C) | 142.4 |
| 5 (CH) | 57.9 |
| 6 (CH) | 74.9 |
| 7 (CH) | 44.9 |
| 8 (CH2) | 20.7 |
| 9 (CH2) | 35.3 |
| 10 (C) | 126.4 |
| 11 (CH) | 34.1 |
| 12 (CH2) | 31 |
| 13 (CH2) | 26 |
| 14 (CH) | 64.4 |
| 15 (C) | 58.6 |
| 16 (CH3) | 18.6 |
| 17 (CH3) | 16.1 |
| 18 (CH3) | 20.7 |
| 19 (CH3) | 17.5 |
| 20 (CH3) | 24.8 |
