Spektraris NMR
1beta,15xi-Diacetoxy-11,12-epoxy-8(12),9(11),17-sacculatatriene
Common Name: 1beta,15xi-Diacetoxy-11,12-epoxy-8(12),9(11),17-sacculatatriene
Synonyms: 1beta,15xi-Diacetoxy-11,12-epoxy-8(12),9(11),17-sacculatatriene
CAS Registry Number:
InChI: InChI=1S/C24H34O5/c1-15(2)7-10-21(28-16(3)25)23(5)12-11-22(29-17(4)26)24(6)19-14-27-13-18(19)8-9-20(23)24/h7,13-14,20-22H,8-12H2,1-6H3/t20-,21?,22+,23+,24+/m0/s1
InChIKey: InChIKey=ZZSWSOQILANTMN-RNFCRKIASA-N
Formula: C24H34O5
Molecular Weight: 402.524672
Exact Mass: 402.240624
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Feld, H., Hertewich, U.M., Zapp, J., Becker, H. Phytochemistry (2005) 66, 1094-9
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Sacculatanes; 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) | 80.5 |
| 2 (CH2) | 23.6 |
| 3 (CH2) | 30.7 |
| 4 (C) | 39.2 |
| 5 (CH) | 45 |
| 6 (CH2) | 18.4 |
| 7 (CH2) | 20.6 |
| 8 (C) | 119.8 |
| 9 (C) | 133.4 |
| 10 (C) | 38.7 |
| 11 (CH) | 136 |
| 12 (CH) | 136.7 |
| 13 (CH3) | 20.3 |
| 14 (CH3) | 17.8 |
| 15 (CH) | 78.1 |
| 16 (CH2) | 28 |
| 17 (CH) | 120.6 |
| 18 (C) | 134 |
| 19 (CH3) | 25.7 |
| 20 (CH3) | 17.7 |
| 1a (C) | 170.5 |
| 1b (CH3) | 21.7 |
| 15a (C) | 170.4 |
| 15b (CH3) | 21 |
