7β-(1',1',3',3'-Tetramethyl-1',3'-dihydroisoindol-2'-yloxyl)-13-oxo-deisopropyl-abietan-8(14)-enoic acid

7β-(1',1',3',3'-Tetramethyl-1',3'-dihydroisoindol-2'-yloxyl)-13-oxo-deisopropyl-abietan-8(14)-enoic acid

Common Name: 7β-(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+/m0/s1

InChIKey: InChIKey=LIRIIIZWSWNIRX-NBPMNIKXSA-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
2 (CH2) 18.2
3 (CH2) 36.8
4 (C) 47.4
5 (CH) 45.7
6 (CH2) 32.4
7 (CH) 82.5
8 (C) 160.7
9 (CH) 49.3
10 (C) 39
11 (CH2) 20.3
12 (CH2) 36.5
13 (C) 197.2
14 (CH) 124.1
15 (C) 184.2
16 (CH3) 17.1
17 (CH3) 15.6
1' (C) 67.3
3' (C) 68.2
4' (CH) 122
5' (CH) 128.1
6' (CH) 128
7' (CH) 122.2
8' (CH3) 30
9' (CH3) 25.6
10' (CH3) 30
11' (CH3) 25.8
3'a (C) 145
7'a (C) 145