Spektraris NMR
(1S,2E,4R,7S)-11,12-Epoxy-2,8(19)-cembradiene-4,7-diol
Common Name: (1S,2E,4R,7S)-11,12-Epoxy-2,8(19)-cembradiene-4,7-diol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H34O3/c1-14(2)16-8-11-19(4,22)12-10-17(21)15(3)6-7-18-20(5,23-18)13-9-16/h8,11,14,16-18,21-22H,3,6-7,9-10,12-13H2,1-2,4-5H3/b11-8+/t16-,17-,18+,19-,20-/m0/s1
InChIKey: InChIKey=DSDNGQDXKIINGX-KPWFINGCSA-N
Formula: C20H34O3
Molecular Weight: 322.482918
Exact Mass: 322.250795
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Pham, N.B., Butler, M.S., Quinn, R.J. J Nat Prod (2002) 65, 1147-50
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 (CH) | 47.8 |
| 2 (CH) | 132.4 |
| 3 (CH) | 137.6 |
| 4 (C) | 72.8 |
| 5 (CH2) | 40.6 |
| 6 (CH2) | 30.6 |
| 7 (CH) | 77.8 |
| 8 (C) | 148.6 |
| 9 (CH2) | 25.5 |
| 10 (CH2) | 25.4 |
| 11 (CH) | 63.2 |
| 12 (C) | 61.7 |
| 13 (CH2) | 33.5 |
| 14 (CH2) | 30 |
| 15 (CH) | 30.8 |
| 16 (CH3) | 21 |
| 17 (CH3) | 20.5 |
| 18 (CH3) | 28.3 |
| 19 (CH2) | 113 |
| 20 (CH3) | 16.6 |
