Spektraris NMR
( 12R) 12,15,16- Triacetoxy-neo-cleroda-4(18),13E-diene
Common Name: ( 12R) 12,15,16- Triacetoxy-neo-cleroda-4(18),13E-diene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H40O6/c1-17-9-8-10-24-25(17,6)13-11-18(2)26(24,7)15-23(32-21(5)29)22(16-31-20(4)28)12-14-30-19(3)27/h12,18,23-24H,1,8-11,13-16H2,2-7H3/b22-12+/t18-,23+,24+,25+,26+/m1/s1
InChIKey: InChIKey=QZVBOHJQUQFCGN-OHFLLACKSA-N
Formula: C26H40O6
Molecular Weight: 448.593193
Exact Mass: 448.282489
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) | 22.1 |
| 2 (CH2) | 28.2 |
| 3 (CH2) | 32.9 |
| 4 (C) | 159.6 |
| 5 (C) | 40.1 |
| 6 (CH2) | 37.2 |
| 7 (CH2) | 27.5 |
| 8 (CH) | 37.8 |
| 9 (C) | 40.1 |
| 10 (CH) | 49 |
| 11 (CH2) | 41.6 |
| 12 (CH) | 72.5 |
| 13 (C) | 138.9 |
| 14 (CH) | 126.4 |
| 15 (CH2) | 59.3 |
| 16 (CH2) | 60.2 |
| 17 (CH3) | 16.2 |
| 18 (CH2) | 103.1 |
| 19 (CH3) | 21.1 |
| 20 (CH3) | 17.7 |
| 12a (C) | 169.8 |
| 12b (CH3) | 20.8 |
| 15a (C) | 170.3 |
| 15b (CH3) | 20.8 |
| 16a (C) | 170.4 |
| 16b (CH3) | 20.8 |
