Spektraris NMR
14α-(1',1',3',3'-Tetramethyl-1',3'-dihydroisoindol-2'-yloxyl)-7α,8α-epoxy-13-oxo-deisopropyl-abietic acid
Common Name: 14α-(1',1',3',3'-Tetramethyl-1',3'-dihydroisoindol-2'-yloxyl)-7α,8α-epoxy-13-oxo-deisopropyl-abietic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H39NO5/c1-25(2)17-10-7-8-11-18(17)26(3,4)30(25)35-23-19(31)12-13-20-27(5)14-9-15-28(6,24(32)33)21(27)16-22-29(20,23)34-22/h7-8,10-11,20-23H,9,12-16H2,1-6H3,(H,32,33)/t20?,21-,22-,23+,27-,28-,29+/m1/s1
InChIKey: InChIKey=VVTVLOJXLBUAIG-PTKVJCHRSA-N
Formula: C29H39N1O5
Molecular Weight: 481.624798
Exact Mass: 481.282823
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) | 18.1 |
| 3 (CH2) | 37.1 |
| 4 (C) | 46.3 |
| 5 (CH) | 40.4 |
| 6 (CH2) | 24.6 |
| 7 (CH) | 56.9 |
| 8 (C) | 58.6 |
| 9 (CH) | 51.1 |
| 10 (C) | 34.1 |
| 11 (CH2) | 17.8 |
| 12 (CH2) | 37.8 |
| 13 (C) | 205 |
| 14 (CH) | 91.5 |
| 15 (C) | 183.3 |
| 16 (CH3) | 17.6 |
| 17 (CH3) | 15.7 |
| 1' (C) | 67.6 |
| 3' (C) | 68.7 |
| 4' (CH) | 121.8 |
| 5' (CH) | 127.5 |
| 6' (CH) | 127.5 |
| 7' (CH) | 121.8 |
| 8' (CH3) | 29.8 |
| 9' (CH3) | 25.9 |
| 10' (CH3) | 30.6 |
| 11' (CH3) | 25.7 |
| 3'a (C) | 144.9 |
| 7'a (C) | 144.6 |
