Spektraris NMR
(12R)12,15-Diacetoxy-neo-cleroda-4( 18),13 E-dien- 16-ol
Common Name: (12R)12,15-Diacetoxy-neo-cleroda-4( 18),13 E-dien- 16-ol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H38O5/c1-16-8-7-9-22-23(16,5)12-10-17(2)24(22,6)14-21(29-19(4)27)20(15-25)11-13-28-18(3)26/h11,17,21-22,25H,1,7-10,12-15H2,2-6H3/b20-11+/t17-,21+,22+,23+,24+/m1/s1
InChIKey: InChIKey=LSWRAZVQZPLPLJ-VSIUUFFDSA-N
Formula: C24H38O5
Molecular Weight: 406.556435
Exact Mass: 406.271924
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) | 22.2 |
| 2 (CH2) | 28.3 |
| 3 (CH2) | 33 |
| 4 (C) | 159.8 |
| 5 (C) | 40.2 |
| 6 (CH2) | 37.3 |
| 7 (CH2) | 27.6 |
| 8 (CH) | 38 |
| 9 (C) | 40.2 |
| 10 (CH) | 49.3 |
| 11 (CH2) | 42 |
| 12 (CH) | 73 |
| 13 (C) | 144.9 |
| 14 (CH) | 123.4 |
| 15 (CH2) | 58.4 |
| 16 (CH2) | 60.4 |
| 17 (CH3) | 16.3 |
| 18 (CH2) | 103.1 |
| 19 (CH3) | 20.9 |
| 20 (CH3) | 17.9 |
| 12a (C) | 171.3 |
| 12b (CH3) | 20.9 |
| 15a (C) | 171 |
| 15b (CH3) | 21.1 |
