Spektraris NMR
21-Hydroxy-ent-isozonarone
Common Name: 21-Hydroxy-ent-isozonarone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H28O3/c1-13-6-9-18-20(2,3)10-5-11-21(18,4)15(13)12-14-16(22)7-8-17(23)19(14)24/h6-8,15,18,24H,5,9-12H2,1-4H3/t15-,18-,21+/m0/s1
InChIKey: InChIKey=BTWPUBRFEZFSGY-UQASEVPWSA-N
Formula: C21H28O3
Molecular Weight: 328.44601
Exact Mass: 328.203845
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - McNamara, C.E., Larsen, L., Perry, N.B., Harper, J.L., Berridge, M.V., Chia, E.W., Kelly, M., Webb, V.L. J Nat Prod (2005) 68, 1431-3
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) | 42.1 |
| 4 (C) | 33 |
| 5 (CH) | 50.1 |
| 6 (CH2) | 23.7 |
| 7 (CH) | 122.9 |
| 8 (C) | 134.7 |
| 9 (CH) | 51.8 |
| 10 (C) | 37.3 |
| 11 (CH2) | 21.6 |
| 12 (CH3) | 22.4 |
| 13 (CH3) | 33.3 |
| 14 (CH3) | 22 |
| 15 (CH3) | 13.5 |
| 1' (C) | 123.8 |
| 2' (C) | 187.7 |
| 3' (CH) | 131.6 |
| 4' (CH) | 139.5 |
| 5' (C) | 182.8 |
| 6' (C) | 150.8 |
