Spektraris NMR
Hypopurin C
Common Name: Hypopurin C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H22O5/c1-18-6-3-7-20-14(18)4-8-19(2,25-17(20)24-16(18)22)15(20)10-13(21)12-5-9-23-11-12/h4-5,8-9,11,14-15,17H,3,6-7,10H2,1-2H3/t14-,15-,17?,18+,19+,20+/m0/s1
InChIKey: InChIKey=RRIAXHHOQKFFCN-SHUSYBTNSA-N
Formula: C20H22O5
Molecular Weight: 342.386439
Exact Mass: 342.146724
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) | 30.3 |
| 2 (CH2) | 21.3 |
| 3 (CH2) | 38.3 |
| 4 (C) | 43.5 |
| 5 (CH) | 50.7 |
| 6 (CH) | 126.8 |
| 7 (CH) | 138.2 |
| 8 (C) | 81.7 |
| 9 (CH) | 48.8 |
| 10 (C) | 46.8 |
| 11 (CH2) | 35.7 |
| 12 (C) | 192.8 |
| 13 (C) | 127.5 |
| 14 (CH) | 108.6 |
| 15 (CH) | 144.5 |
| 16 (CH) | 147.1 |
| 17 (CH3) | 21.4 |
| 18 (C) | 173.4 |
| 19 (CH3) | 23.4 |
| 20 (CH) | 108.3 |
