Spektraris NMR
(12R)18-nor-12,15,16Triacetoxy-neo-cleroda-4(18),13E-dien
Common Name: (12R)18-nor-12,15,16Triacetoxy-neo-cleroda-4(18),13E-dien
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H38O7/c1-16-10-12-24(5)22(8-7-9-23(24)29)25(16,6)14-21(32-19(4)28)20(15-31-18(3)27)11-13-30-17(2)26/h11,16,21-22H,7-10,12-15H2,1-6H3/b20-11+/t16-,21+,22+,24-,25+/m1/s1
InChIKey: InChIKey=HBDKVTLVFAWUGN-GZSLUZQTSA-N
Formula: C25H38O7
Molecular Weight: 450.565981
Exact Mass: 450.261754
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Gordaliza, M., Delcorral, J.M.M., Delapuente, M.L., Sanfeliciano, A. Phytochemistry (1994) 36, 1453-6
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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 (CH2) | 21 |
| 2 (CH2) | 25.6 |
| 3 (CH2) | 33 |
| 4 (C) | 215 |
| 5 (C) | 49.1 |
| 6 (CH2) | 37.4 |
| 7 (CH2) | 26.7 |
| 8 (CH) | 37.5 |
| 9 (C) | 40.5 |
| 10 (CH) | 48.7 |
| 11 (CH2) | 41.7 |
| 12 (CH) | 72.4 |
| 13 (C) | 138.8 |
| 14 (CH) | 126.9 |
| 15 (CH2) | 59.3 |
| 16 (CH2) | 60.2 |
| 17 (CH3) | 16.3 |
| 19 (CH3) | 19.2 |
| 20 (CH3) | 18.1 |
| 12a (C) | 170.6 |
| 12b (CH3) | 20.8 |
| 15a (C) | 170.6 |
| 15b (CH3) | 21 |
| 16a (C) | 170.6 |
| 16b (CH3) | 21.1 |
