Spektraris NMR
Hypopurin B
Common Name: Hypopurin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H22O5/c1-11-8-15-16-19(2)5-3-6-20(16,18(24-15)25-17(19)22)13(11)9-14(21)12-4-7-23-10-12/h4,7-8,10,13,15-16,18H,3,5-6,9H2,1-2H3/t13-,15+,16-,18?,19+,20-/m0/s1
InChIKey: InChIKey=WRANWQZSRYWETI-PRYSWFBGSA-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) | 28.2 |
| 2 (CH2) | 20.3 |
| 3 (CH2) | 38.3 |
| 4 (C) | 44.2 |
| 5 (CH) | 54 |
| 6 (CH) | 73.6 |
| 7 (CH) | 126.7 |
| 8 (C) | 141.3 |
| 9 (CH) | 46.3 |
| 10 (C) | 46.7 |
| 11 (CH2) | 39.3 |
| 12 (C) | 192.6 |
| 13 (C) | 127.5 |
| 14 (CH) | 108.6 |
| 15 (CH) | 144.6 |
| 16 (CH) | 147.3 |
| 17 (CH3) | 20.6 |
| 18 (C) | 175.5 |
| 19 (CH3) | 21.8 |
| 20 (CH) | 105.3 |
