Spektraris NMR
Demethylcaesaldekarin C
Common Name: Demethylcaesaldekarin C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O4/c1-12-13-5-9-20(23)18(2,7-4-8-19(20,3)17(21)22)15(13)11-16-14(12)6-10-24-16/h6,10,12-13,15,23H,4-5,7-9,11H2,1-3H3,(H,21,22)/t12-,13+,15+,18-,19-,20+/m1/s1
InChIKey: InChIKey=SWWBGUDLCYBCKU-FBZMMNSESA-N
Formula: C20H28O4
Molecular Weight: 332.434679
Exact Mass: 332.198759
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Lyder, D.L., Peter, S.R., Tinto, W.F., Bissada, S.M., McLean, S., Reynolds, W.F. J Nat Prod (1998) 61, 1462-5
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Vouacapanes; 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) | 32.3 |
| 2 (CH2) | 18.6 |
| 3 (CH2) | 32 |
| 4 (C) | 49 |
| 5 (C) | 77.3 |
| 6 (CH2) | 27.8 |
| 7 (CH2) | 24.7 |
| 8 (CH) | 34.6 |
| 9 (CH) | 37.5 |
| 10 (C) | 42 |
| 11 (CH2) | 22.5 |
| 12 (C) | 149.4 |
| 13 (C) | 122.3 |
| 14 (CH) | 31.6 |
| 15 (CH) | 109.5 |
| 16 (CH) | 140.3 |
| 17 (CH3) | 17.5 |
| 18 (CH3) | 24.1 |
| 19 (C) | 181.3 |
| 20 (CH3) | 15.3 |
