Spektraris NMR
Acutilol A acetate
Common Name: Acutilol A acetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H34O3/c1-13-7-11-18(14(2)9-12-19-22(5,6)25-19)21(24-16(4)23)20-15(3)8-10-17(13)20/h8,14,18-21H,7,9-12H2,1-6H3/t14-,18+,19?,20-,21-/m1/s1
InChIKey: InChIKey=PGPIWOGBQYZDIX-ZVMQUZNOSA-N
Formula: C22H34O3
Molecular Weight: 346.50439
Exact Mass: 346.250795
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) | 133.9 |
| 2 (CH2) | 36 |
| 3 (CH) | 124.8 |
| 4 (C) | 140.6 |
| 5 (CH) | 56.9 |
| 6 (CH) | 74 |
| 7 (CH) | 42.3 |
| 8 (CH2) | 21.4 |
| 9 (CH2) | 32.8 |
| 10 (C) | 126.9 |
| 11 (CH) | 34.6 |
| 12 (CH2) | 31.5 |
| 13 (CH2) | 26.4 |
| 14 (CH) | 64.3 |
| 15 (C) | 58.2 |
| 16 (CH3) | 18.5 |
| 17 (CH3) | 15.5 |
| 18 (CH3) | 20.4 |
| 19 (CH3) | 16.4 |
| 20 (CH3) | 24.7 |
| 6a (C) | 170.3 |
| 6b (CH3) | 21.4 |
