Spektraris NMR
11(S*)-Acetoxy-2(R*),12(R*),15(S*),17-diepoxy-(3E,7E)-1(S*)-cembra-3,7-diene
Common Name: 11(S*)-Acetoxy-2(R*),12(R*),15(S*),17-diepoxy-(3E,7E)-1(S*)-cembra-3,7-diene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H34O4/c1-15-7-6-8-16(2)13-19-18(22(5)14-24-22)11-12-21(4,26-19)20(10-9-15)25-17(3)23/h7,13,18-20H,6,8-12,14H2,1-5H3/b15-7+,16-13+/t18-,19+,20-,21+,22-/m0/s1
InChIKey: InChIKey=WPYCBICMVYJYFT-JBNXWDSASA-N
Formula: C22H34O4
Molecular Weight: 362.503795
Exact Mass: 362.24571
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wei, X., Rodriguez, A.D., Baran, P., Raptis, R.G., Sanchez, J.A., Ortega-Barria, E., Gonzalez, J. Tetrahedron (2004) 60, 11813-9
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) | 46.9 |
| 2 (CH) | 70.4 |
| 3 (CH) | 131.3 |
| 4 (C) | 137.2 |
| 5 (CH2) | 39.8 |
| 6 (CH2) | 26 |
| 7 (CH) | 125.6 |
| 8 (C) | 134.3 |
| 9 (CH2) | 35 |
| 10 (CH2) | 29.7 |
| 11 (CH) | 77.1 |
| 12 (C) | 74.4 |
| 13 (CH2) | 26.7 |
| 14 (CH2) | 17.8 |
| 15 (C) | 59 |
| 16 (CH3) | 18.9 |
| 17 (CH2) | 52.2 |
| 18 (CH3) | 14.9 |
| 19 (CH3) | 16.3 |
| 20 (CH3) | 20.3 |
| 11a (C) | 171.6 |
| 11b (CH3) | 21.2 |
