Spektraris NMR
(1E,3E)-11,12-epoxycembra-1,3-dien-6-one
Common Name: (1E,3E)-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-/m1/s1
InChIKey: InChIKey=LDROFFAQTPADQI-CLUUHPCDSA-N
Formula: C20H32O2
Molecular Weight: 304.467632
Exact Mass: 304.24023
NMR Solvent: C+C
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) | 148.5 |
| 2 (CH) | 117.9 |
| 3 (CH) | 125.3 |
| 4 (C) | 130.4 |
| 5 (CH2) | 53.7 |
| 6 (C) | 210.6 |
| 7 (CH2) | 49.6 |
| 8 (CH) | 28.7 |
| 9 (CH2) | 33.5 |
| 10 (CH2) | 24.6 |
| 11 (CH) | 61 |
| 12 (C) | 60.5 |
| 13 (CH2) | 35.9 |
| 14 (CH2) | 25.2 |
| 15 (CH) | 32.2 |
| 16 (CH3) | 21.3 |
| 17 (CH3) | 23 |
| 18 (CH3) | 17.3 |
| 19 (CH3) | 20.3 |
| 20 (CH3) | 18.7 |
