Spektraris NMR
15,16-Diacetoxy-15,16-epoxy-neo-cleroda-3,12Z-diene
Common Name: 15,16-Diacetoxy-15,16-epoxy-neo-cleroda-3,12Z-diene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H36O5/c1-15-8-7-9-20-23(15,5)12-10-16(2)24(20,6)13-11-19-14-21(27-17(3)25)29-22(19)28-18(4)26/h8,11,16,20-22H,7,9-10,12-14H2,1-6H3/b19-11+/t16-,20+,21?,22?,23+,24+/m1/s1
InChIKey: InChIKey=ZREAIEZMYZQUFC-JSFJWALISA-N
Formula: C24H36O5
Molecular Weight: 404.540553
Exact Mass: 404.256274
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Gordaliza, M., Delcorral, J.M.M., Mahiques, M.M., Castro, M.A., Sanfeliciano, A. Phytochemistry (1995) 40, 1307-9
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) | 26.7 |
| 2 (CH2) | 19 |
| 3 (CH) | 120.5 |
| 4 (C) | 144.3 |
| 5 (C) | 39.9 |
| 6 (CH2) | 37.6 |
| 7 (CH2) | 27.5 |
| 8 (CH) | 36.6 |
| 9 (C) | 38.3 |
| 10 (CH) | 47.7 |
| 11 (CH2) | 36.6 |
| 12 (CH) | 125.6 |
| 13 (C) | 133.1 |
| 14 (CH2) | 36.8 |
| 15 (CH) | 97 |
| 16 (CH) | 93.9 |
| 17 (CH3) | 16.1 |
| 18 (CH3) | 17.9 |
| 19 (CH3) | 19.8 |
| 20 (CH3) | 17.7 |
| 15a (C) | 169.7 |
| 15b (CH3) | 20.6 |
| 16a (C) | 169.7 |
| 16b (CH3) | 20.6 |
