Spektraris NMR
7α-(1'1',3',3'-Tetramethyl-1',3'-dihydroisoindol-2'-yloxyl)-13-oxo-deisopropyl-abietan-8(14)-enoic acid
Common Name: 7α-(1'1',3',3'-Tetramethyl-1',3'-dihydroisoindol-2'-yloxyl)-13-oxo-deisopropyl-abietan-8(14)-enoic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H39NO4/c1-26(2)21-10-7-8-11-22(21)27(3,4)30(26)34-23-17-24-28(5,14-9-15-29(24,6)25(32)33)20-13-12-18(31)16-19(20)23/h7-8,10-11,16,20,23-24H,9,12-15,17H2,1-6H3,(H,32,33)/t20?,23-,24-,28-,29-/m1/s1
InChIKey: InChIKey=LIRIIIZWSWNIRX-VDFSPHOASA-N
Formula: C29H39N1O4
Molecular Weight: 465.625393
Exact Mass: 465.287909
NMR Solvent: C6D6
MHz:
Calibration:
NMR references: 13C - Gimenez-Arnau, E., Haberkom, L., Grossi, L., Lepoittevin, J.P. Tetrahedron (2008) 64, 5680-91
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Podocarpanes; 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) | 38.4 |
| 2 (CH2) | 18.2 |
| 3 (CH2) | 36.5 |
| 4 (C) | 47.2 |
| 5 (CH) | 43.2 |
| 6 (CH2) | 30.6 |
| 7 (CH) | 83.9 |
| 8 (C) | 158.4 |
| 9 (CH) | 48.1 |
| 10 (C) | 39.1 |
| 11 (CH2) | 20.3 |
| 12 (CH2) | 36.8 |
| 13 (C) | 197.8 |
| 14 (CH) | 130.1 |
| 15 (C) | 184.3 |
| 16 (CH3) | 16.8 |
| 17 (CH3) | 15.2 |
| 1' (C) | 67.4 |
| 3' (C) | 68.3 |
| 4' (CH) | 121.6 |
| 5' (CH) | 128.2 |
| 6' (CH) | 127.6 |
| 7' (CH) | 122 |
| 8' (CH3) | 30.2 |
| 9' (CH3) | 25.6 |
| 10' (CH3) | 30.9 |
| 11' (CH3) | 25.8 |
| 3'a (C) | 145 |
| 7'a (C) | 145 |
