Spektraris NMR
Hypopurin A
Common Name: Hypopurin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H24O4/c1-12-9-16-17-19(2,6-4-7-20(17,3)18(22)24-16)14(12)10-15(21)13-5-8-23-11-13/h5,8-9,11,14,16-17H,4,6-7,10H2,1-3H3/t14-,16+,17+,19+,20+/m0/s1
InChIKey: InChIKey=PHCHZWZHTDPULA-UXANRKEVSA-N
Formula: C20H24O4
Molecular Weight: 328.402916
Exact Mass: 328.167459
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) | 50.8 |
| 6 (CH) | 73.6 |
| 7 (CH) | 119 |
| 8 (C) | 143.6 |
| 9 (CH) | 45.2 |
| 10 (C) | 33.7 |
| 11 (CH2) | 37.3 |
| 12 (C) | 193.9 |
| 13 (C) | 127.5 |
| 14 (CH) | 108.6 |
| 15 (CH) | 144.4 |
| 16 (CH) | 146.9 |
| 17 (CH3) | 21.9 |
| 18 (C) | 182.4 |
| 19 (CH3) | 24 |
| 20 (CH3) | 18.9 |
