Spektraris NMR
DivinatorinC
Common Name: DivinatorinC
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H30O5/c1-15(23)27-14-17-8-11-22(3)18(20(24)25)5-4-6-19(22)21(17,2)10-7-16-9-12-26-13-16/h5,9,12-13,17,19H,4,6-8,10-11,14H2,1-3H3,(H,24,25)/t17-,19+,21-,22-/m0/s1
InChIKey: InChIKey=CSQRHRPGMJMXPY-TZEULACYSA-N
Formula: C22H30O5
Molecular Weight: 374.471437
Exact Mass: 374.209324
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Bigham A.K., Munro T.A., Rizzacasa M.A., Robins-Browne R.M. J Nat Prod (2003) 66, 1242-4
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) | 17 |
| 2 (CH2) | 27.4 |
| 3 (CH) | 140.3 |
| 4 (C) | 141.2 |
| 5 (C) | 37.4 |
| 6 (CH2) | 35.2 |
| 7 (CH2) | 22.3 |
| 8 (CH) | 40.9 |
| 9 (C) | 38.4 |
| 10 (CH) | 46.8 |
| 11 (CH2) | 38.9 |
| 12 (CH2) | 18.3 |
| 13 (C) | 125.2 |
| 14 (CH) | 110.9 |
| 15 (CH) | 142.8 |
| 16 (CH) | 138.5 |
| 17 (CH2) | 66.1 |
| 18 (C) | 171.9 |
| 19 (CH3) | 20.5 |
| 20 (CH3) | 19 |
| 17b (C) | 171.2 |
| 17c (CH3) | 21 |
