Spektraris NMR
20-O-Acetyl-21-hydroxy-ent-isozonarol
Common Name: 20-O-Acetyl-21-hydroxy-ent-isozonarol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H32O4/c1-14-7-10-20-22(3,4)11-6-12-23(20,5)17(14)13-16-18(25)8-9-19(21(16)26)27-15(2)24/h7-9,17,20,25-26H,6,10-13H2,1-5H3/t17-,20-,23+/m0/s1
InChIKey: InChIKey=LISRCGYCVNHXKP-KPDCDPCYSA-N
Formula: C23H32O4
Molecular Weight: 372.498649
Exact Mass: 372.23006
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Perez-Garcia, E., Zubia, E., Ortega, M.J., Carballo, J.L. J Nat Prod (2005) 68, 653-8
Species:
Notes: Family : Terpenoids, Type : Merosesquiterpenoids, Group : Drimanes; 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 (CH2) | 39.1 |
| 2 (CH2) | 19 |
| 3 (CH2) | 42.2 |
| 4 (C) | 33.1 |
| 5 (CH) | 50.3 |
| 6 (CH2) | 23.7 |
| 7 (CH) | 122.6 |
| 8 (C) | 135.8 |
| 9 (CH) | 51.9 |
| 10 (C) | 37.4 |
| 11 (CH2) | 22.1 |
| 12 (CH3) | 22.1 |
| 13 (CH3) | 33.4 |
| 14 (CH3) | 21.9 |
| 15 (CH3) | 13.6 |
| 1' (C) | 118.8 |
| 2' (C) | 145.8 |
| 3' (C) | 132.7 |
| 4' (CH) | 119.1 |
| 5' (CH) | 107.1 |
| 6' (C) | 152.1 |
| 3'a (C) | 169.4 |
| 3'b (CH3) | 21 |
