Spektraris NMR
Neocaesalpins I
Common Name: Neocaesalpins I
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H26O4/c1-11-12-5-6-16-19(2,7-4-8-20(16,3)18(22)23)14(12)10-15-13(11)9-17(21)24-15/h9-12,14,16H,4-8H2,1-3H3,(H,22,23)/t11-,12+,14+,16-,19-,20-/m1/s1
InChIKey: InChIKey=PXLAMDZQSUFKAD-ITCUASGVSA-N
Formula: C20H26O4
Molecular Weight: 330.418797
Exact Mass: 330.183109
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Kinoshita, T., Haga, Y., Narimatsu, S., Shimada, M., Goda, Y. Chem Pharm Bull (2005) 53, 717-20
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) | 37.61 |
| 2 (CH2) | 18.2 |
| 3 (CH2) | 37.51 |
| 4 (C) | 47.46 |
| 5 (CH) | 49.25 |
| 6 (CH2) | 24.44 |
| 7 (CH2) | 30.04 |
| 8 (CH) | 38.83 |
| 9 (CH) | 48.89 |
| 10 (C) | 37 |
| 11 (CH) | 111.37 |
| 12 (C) | 150.6 |
| 13 (C) | 162.17 |
| 14 (CH) | 33.56 |
| 15 (CH) | 110.4 |
| 16 (C) | 170.38 |
| 17 (CH3) | 14.37 |
| 18 (C) | 180.93 |
| 19 (CH3) | 17.02 |
| 20 (CH3) | 15.68 |
