Spektraris NMR
(1S,2E,4R,6E,8S,11S,12S)-11,12-Epoxy-2,6-cembrane-4,8-diol
Common Name: (1S,2E,4R,6E,8S,11S,12S)-11,12-Epoxy-2,6-cembrane-4,8-diol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H34O3/c1-15(2)16-7-12-18(3,21)10-6-11-19(4,22)13-9-17-20(5,23-17)14-8-16/h6-7,11-12,15-17,21-22H,8-10,13-14H2,1-5H3/b11-6+,12-7+/t16-,17+,18+,19+,20-/m0/s1
InChIKey: InChIKey=QRMNRAACAJROBR-LKIUSKAWSA-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) | 46.7 |
| 2 (CH) | 131 |
| 3 (CH) | 138.1 |
| 4 (C) | 72.1 |
| 5 (CH2) | 47.1 |
| 6 (CH) | 124.2 |
| 7 (CH) | 138.5 |
| 8 (C) | 73.2 |
| 9 (CH2) | 38.3 |
| 10 (CH2) | 23.7 |
| 11 (CH) | 64.1 |
| 12 (C) | 61.2 |
| 13 (CH2) | 36 |
| 14 (CH2) | 27.4 |
| 15 (CH) | 33.3 |
| 16 (CH3) | 20.1 |
| 17 (CH3) | 19.4 |
| 18 (CH3) | 26.5 |
| 19 (CH3) | 27.8 |
| 20 (CH3) | 15.6 |
