Spektraris NMR
(1S,2E,4R,7R)-11,12-Epoxy-2,8(19)-cembradiene-4,7-diol
Common Name: (1S,2E,4R,7R)-11,12-Epoxy-2,8(19)-cembradiene-4,7-diol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H34O2/c1-15(2)17-10-13-19(4,21)12-6-7-16(3)8-9-18-20(5,22-18)14-11-17/h10,13,15,17-18,21H,3,6-9,11-12,14H2,1-2,4-5H3/b13-10+/t17-,18+,19+,20-/m0/s1
InChIKey: InChIKey=XOZYWXHYHXXFKM-XWMVBHDRSA-N
Formula: C20H34O2
Molecular Weight: 306.483513
Exact Mass: 306.25588
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) | 48.1 |
| 2 (CH) | 132.7 |
| 3 (CH) | 137.6 |
| 4 (C) | 73.1 |
| 5 (CH2) | 38.4 |
| 6 (CH2) | 30.6 |
| 7 (CH2) | 74.5 |
| 8 (C) | 150.6 |
| 9 (CH2) | 28.9 |
| 10 (CH2) | 26 |
| 11 (CH) | 62.6 |
| 12 (C) | 61.5 |
| 13 (CH2) | 33.2 |
| 14 (CH2) | 29.7 |
| 15 (CH) | 30.8 |
| 16 (CH3) | 21.1 |
| 17 (CH3) | 20.5 |
| 18 (CH3) | 27.2 |
| 19 (CH2) | 110.2 |
| 20 (CH3) | 17 |
