Spektraris NMR
18-Hydroxypallavicinin
Common Name: 18-Hydroxypallavicinin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H26O4/c1-7-10-13-14(23-17(10)22)15-19(5)9-11(20(15,6)24-13)16(21)18(3,4)12(19)8-2/h7-8,11-15H,2,9H2,1,3-6H3/b10-7+/t11-,12-,13+,14-,15+,19+,20-/m0/s1
InChIKey: InChIKey=WYOPVCJAKMHFLL-KXZIBYFVSA-N
Formula: C20H26O4
Molecular Weight: 330.418797
Exact Mass: 330.183109
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Yang, J.H., Luo, S.D., Zhao, J.F., Wang, Y.S., Huang, R., Zhang, H.B., Li, L. Helv Chim Acta (2005) 88, 968-73
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 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) | 40.2 |
| 2 (CH) | 60.1 |
| 3 (C) | 214.6 |
| 4 (C) | 44 |
| 5 (CH) | 50.3 |
| 6 (CH) | 135.6 |
| 7 (CH2) | 118.1 |
| 8 (C) | 95.1 |
| 9 (CH) | 70.1 |
| 10 (C) | 43.3 |
| 11 (CH) | 81.3 |
| 12 (CH) | 80.3 |
| 13 (C) | 129.1 |
| 14 (CH) | 144.2 |
| 15 (CH3) | 15.8 |
| 16 (C) | 169.1 |
| 17 (CH3) | 31.9 |
| 18 (CH3) | 66.7 |
| 19 (CH3) | 22.7 |
| 20 (CH3) | 25 |
