Spektraris NMR
3,14-Epoxy-1(E),7(E),11(E)-cembratriene-14, 15-diol
Common Name: 3,14-Epoxy-1(E),7(E),11(E)-cembratriene-14, 15-diol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O3/c1-14-8-6-9-15(2)12-17-16(19(3,4)21)13-18(23-17)20(5,22)11-7-10-14/h9-10,13,17-18,21-22H,6-8,11-12H2,1-5H3/b14-10+,15-9+/t17-,18+,20+/m1/s1
InChIKey: InChIKey=YMMMNSPQHCJJNL-AOXBORAHSA-N
Formula: C20H32O3
Molecular Weight: 320.467037
Exact Mass: 320.235145
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Duh, C.Y., Hou, R.S. J Nat Prod (1996) 59, 595-8
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) | 151.9 |
| 2 (CH) | 122.6 |
| 3 (CH) | 83.1 |
| 4 (C) | 74.6 |
| 5 (CH2) | 38.7 |
| 6 (CH2) | 25.1 |
| 7 (CH) | 127.5 |
| 8 (C) | 132.7 |
| 9 (CH2) | 39.2 |
| 10 (CH2) | 21.9 |
| 11 (CH) | 130.2 |
| 12 (C) | 130.9 |
| 13 (CH2) | 45.6 |
| 14 (CH) | 86.3 |
| 15 (C) | 70 |
| 16 (CH3) | 30.8 |
| 17 (CH3) | 30.5 |
| 18 (CH3) | 23.8 |
| 19 (CH3) | 15.9 |
| 20 (CH3) | 17.3 |
