Spektraris NMR
15a,16b-Diacetoxy- 15,16-epoxy-neo-cleroda-4(18),12Z- dien-14b-ol(
Common Name: 15a,16b-Diacetoxy- 15,16-epoxy-neo-cleroda-4(18),12Z- dien-14b-ol(
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H36O6/c1-14-8-7-9-19-23(14,5)12-10-15(2)24(19,6)13-11-18-20(27)22(29-17(4)26)30-21(18)28-16(3)25/h11,15,19-22,27H,1,7-10,12-13H2,2-6H3/b18-11-/t15-,19+,20+,21+,22+,23+,24+/m1/s1
InChIKey: InChIKey=ROPFPQOXIPMNES-WEFCIMOYSA-N
Formula: C24H36O6
Molecular Weight: 420.539958
Exact Mass: 420.251189
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) | 22.5 |
| 2 (CH2) | 28.5 |
| 3 (CH2) | 33 |
| 4 (C) | 160 |
| 5 (C) | 40.3 |
| 6 (CH2) | 37.8 |
| 7 (CH2) | 27.5 |
| 8 (CH) | 37.3 |
| 9 (C) | 40.3 |
| 10 (CH) | 50.3 |
| 11 (CH2) | 37.2 |
| 12 (CH) | 131.9 |
| 13 (C) | 131.9 |
| 14 (CH) | 76.4 |
| 15 (CH) | 101.8 |
| 16 (CH) | 95.3 |
| 17 (CH3) | 16.2 |
| 18 (CH2) | 103 |
| 19 (CH3) | 20.7 |
| 20 (CH3) | 16.2 |
| 15a (C) | 166.9 |
| 15b (CH3) | 21.3 |
| 16a (C) | 167.5 |
| 16b (CH3) | 21.4 |
