Spektraris NMR
Andrograpanin
Common Name: Andrograpanin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O3/c1-14-5-8-17-19(2,13-21)10-4-11-20(17,3)16(14)7-6-15-9-12-23-18(15)22/h9,16-17,21H,1,4-8,10-13H2,2-3H3/t16-,17-,19+,20+/m1/s1
InChIKey: InChIKey=WKKBRRFSRMDTJB-JYBIWHBTSA-N
Formula: C20H30O3
Molecular Weight: 318.451155
Exact Mass: 318.219495
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Cangiano T., DellaGreca M., Fiorentino A., Isidori M., Monaco P., Zarrelli A. Phytochemistry (2001) 56, 469-73
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) | 39 |
| 2 (CH2) | 18.9 |
| 3 (CH2) | 35.3 |
| 4 (C) | 39.5 |
| 5 (CH) | 56.2 |
| 6 (CH2) | 24.5 |
| 7 (CH2) | 38.5 |
| 8 (C) | 147.5 |
| 9 (CH) | 56.4 |
| 10 (C) | 38.8 |
| 11 (CH2) | 21.7 |
| 12 (CH2) | 24.4 |
| 13 (C) | 134.8 |
| 14 (CH) | 143.9 |
| 15 (CH2) | 70.1 |
| 16 (C) | 174.4 |
| 17 (CH2) | 107 |
| 18 (CH3) | 27.1 |
| 19 (CH2) | 65 |
| 20 (CH3) | 15.2 |
