Spektraris NMR
(1E,3Z)-11,12-epoxycembra-1,3-dien-6-one
Common Name: (1E,3Z)-11,12-epoxycembra-1,3-dien-6-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O2/c1-14(2)17-8-6-15(3)12-18(21)13-16(4)7-9-19-20(5,22-19)11-10-17/h6,8,14,16,19H,7,9-13H2,1-5H3/b15-6-,17-8-/t16?,19-,20+/m0/s1
InChIKey: InChIKey=LDROFFAQTPADQI-BYTZGFDNSA-N
Formula: C20H32O2
Molecular Weight: 304.467632
Exact Mass: 304.24023
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Marville, K.I., McLean, S., Reynolds, W.F., Tinto, W.F. J Nat Prod (2003) 66, 1284-7
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Cembranes; 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) | 147.7 |
| 2 (CH) | 118.8 |
| 3 (CH) | 125 |
| 4 (C) | 129.6 |
| 5 (CH2) | 47.2 |
| 6 (C) | 209.9 |
| 7 (CH2) | 48.5 |
| 8 (CH) | 28.4 |
| 9 (CH2) | 33.8 |
| 10 (CH2) | 24.9 |
| 11 (CH) | 63.6 |
| 12 (C) | 60.2 |
| 13 (CH2) | 37.3 |
| 14 (CH2) | 26 |
| 15 (CH) | 32 |
| 16 (CH3) | 20.9 |
| 17 (CH3) | 23.5 |
| 18 (CH3) | 25.3 |
| 19 (CH3) | 20 |
| 20 (CH3) | 16.9 |
