Spektraris NMR
Hypopurin D
Common Name: Hypopurin D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H26O4/c1-12-11-15-16-19(2,8-4-9-20(16,3)18(22)24-15)14(12)6-5-13-7-10-23-17(13)21/h7,11,14-16H,4-6,8-10H2,1-3H3/t14-,15+,16+,19+,20+/m0/s1
InChIKey: InChIKey=CKFAKQNJAVDAAI-DSEDUUINSA-N
Formula: C20H26O4
Molecular Weight: 330.418797
Exact Mass: 330.183109
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Shen, C.C., Ni, C.L., Huang, Y.L., Huang, R.L., Chen, C.C. J Nat Prod (2004) 67, 1947-9
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) | 33.6 |
| 2 (CH2) | 18 |
| 3 (CH2) | 28 |
| 4 (C) | 42.8 |
| 5 (CH) | 51.3 |
| 6 (CH) | 73.5 |
| 7 (CH) | 119.4 |
| 8 (C) | 144 |
| 9 (CH) | 51 |
| 10 (C) | 34.5 |
| 11 (CH2) | 24.6 |
| 12 (CH2) | 27.3 |
| 13 (C) | 134.1 |
| 14 (CH) | 174.1 |
| 15 (CH2) | 144.4 |
| 16 (C) | 70.2 |
| 17 (CH3) | 22 |
| 18 (C) | 182.4 |
| 19 (CH3) | 24 |
| 20 (CH3) | 18.1 |
