Spektraris NMR
Hemerocallal A
Common Name: Hemerocallal A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O2/c1-13(12-21)6-5-10-19(3)16-8-7-14(2)15-9-11-20(4,22)17(15)18(16)19/h5-6,10,12,15-18,22H,2,7-9,11H2,1,3-4H3/b10-5+,13-6-/t15-,16-,17+,18+,19-,20-/m1/s1
InChIKey: InChIKey=OAIHJXPEYJVLCP-GFQQBSLKSA-N
Formula: C20H28O2
Molecular Weight: 300.435869
Exact Mass: 300.20893
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Yang, Z.D., Chen, H., Li, Y.C. Helv Chim Acta (2003) 86, 3305-9
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Prenylaromadendranes; 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) | 52.73 |
| 2 (CH2) | 26.64 |
| 3 (CH2) | 41.86 |
| 4 (C) | 80.75 |
| 5 (CH) | 53.31 |
| 6 (CH) | 32.86 |
| 7 (CH) | 30.46 |
| 8 (CH2) | 24.22 |
| 9 (CH2) | 38.13 |
| 10 (C) | 152.4 |
| 11 (C) | 28.19 |
| 12 (CH) | 155.89 |
| 13 (CH3) | 12.13 |
| 14 (CH2) | 107.26 |
| 15 (CH3) | 26.08 |
| 16 (CH) | 120.09 |
| 17 (CH) | 150 |
| 18 (C) | 134.9 |
| 19 (CH3) | 9.42 |
| 20 (CH) | 194.97 |
