Spektraris NMR
Homo-cyclopropane derivative
Common Name: Homo-cyclopropane derivative
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H28O3/c1-11(2)12-9-21-10-13(21)15(23)17-19(3,4)7-6-8-20(17,5)18(21)16(24)14(12)22/h9,11,13,17,24H,6-8,10H2,1-5H3/t13-,17+,20+,21-/m1/s1
InChIKey: InChIKey=MYXDEHICRISYIS-UQLQBKHNSA-N
Formula: C21H28O3
Molecular Weight: 328.44601
Exact Mass: 328.203845
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rodriguez, B. Magn Reson Chem (2005) 43, 97-9
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Abietanes; 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) | 35.82 |
| 2 (CH2) | 18.8 |
| 3 (CH2) | 42.35 |
| 4 (C) | 32.59 |
| 5 (CH) | 53.88 |
| 6 (C) | 205.59 |
| 7 (CH) | 38.81 |
| 8 (C) | 35.96 |
| 9 (C) | 132.17 |
| 10 (C) | 48.13 |
| 11 (C) | 146.14 |
| 12 (C) | 181.27 |
| 13 (C) | 141.32 |
| 14 (CH) | 147.88 |
| 15 (CH) | 26.6 |
| 16 (CH3) | 21.6 |
| 17 (CH3) | 21.19 |
| 18 (CH3) | 33.28 |
| 19 (CH3) | 22.53 |
| 20 (CH3) | 19.73 |
| 21 (CH2) | 25.47 |
