Spektraris NMR
DivinatorinA
Common Name: DivinatorinA
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O4/c1-13-6-9-20(3)15(18(22)23)4-5-16(21)17(20)19(13,2)10-7-14-8-11-24-12-14/h4,8,11-13,16-17,21H,5-7,9-10H2,1-3H3,(H,22,23)/t13-,16+,17-,19+,20+/m1/s1
InChIKey: InChIKey=FMOMDZQOXKGTDA-MWEXJPOMSA-N
Formula: C20H28O4
Molecular Weight: 332.434679
Exact Mass: 332.198759
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 (CH) | 64.7 |
| 2 (CH2) | 38.1 |
| 3 (CH) | 136.2 |
| 4 (C) | 140.8 |
| 5 (C) | 37.4 |
| 6 (CH2) | 38.6 |
| 7 (CH2) | 27.4 |
| 8 (CH) | 37.1 |
| 9 (C) | 39.7 |
| 10 (CH) | 49 |
| 11 (CH2) | 39.1 |
| 12 (CH2) | 18.2 |
| 13 (C) | 125.2 |
| 14 (CH) | 110.9 |
| 15 (CH) | 142.8 |
| 16 (CH) | 138.4 |
| 17 (CH3) | 15.7 |
| 18 (C) | 171.8 |
| 19 (CH3) | 21.4 |
| 20 (CH3) | 19.8 |
