(5R)-5,6,7,8-Tetrahydro-5beta-(3,4,5-trimethoxyphenyl)-7alpha-(acetoxymethyl)-8-(hydroxyimino)naphtho[2,3-d]-1,3-dioxole-6alpha-carboxylic acid methyl ester

(5R)-5,6,7,8-Tetrahydro-5beta-(3,4,5-trimethoxyphenyl)-7alpha-(acetoxymethyl)-8-(hydroxyimino)naphtho[2,3-d]-1,3-dioxole-6alpha-carboxylic acid methyl ester

Common Name: (5R)-5,6,7,8-Tetrahydro-5beta-(3,4,5-trimethoxyphenyl)-7alpha-(acetoxymethyl)-8-(hydroxyimino)naphtho[2,3-d]-1,3-dioxole-6alpha-carboxylic acid methyl ester

Synonyms: (5R)-5,6,7,8-Tetrahydro-5beta-(3,4,5-trimethoxyphenyl)-7alpha-(acetoxymethyl)-8-(hydroxyimino)naphtho[2,3-d]-1,3-dioxole-6alpha-carboxylic acid methyl ester

CAS Registry Number:

InChI: InChI=1S/C25H27NO10/c1-12(27)34-10-16-22(25(28)33-5)21(13-6-19(30-2)24(32-4)20(7-13)31-3)14-8-17-18(36-11-35-17)9-15(14)23(16)26-29/h6-9,16,21-22,29H,10-11H2,1-5H3/b26-23-/t16-,21+,22+/m0/s1

InChIKey: InChIKey=PHNZCXCOVMFXDO-ALOJHZEGSA-N

Formula: C25H27N1O10

Molecular Weight: 501.48359

Exact Mass: 501.163496

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Castro, M.A., Miguel del Corral, M., Lopez-Vazquez, L., Garcia, P.A., San Feliciano, A. Magn Reson Chem (1985) 23, 389

Species:

Notes: Family : Lignans, Type : Lignans, Group : Cyclolignans; 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 (C) 134.9
2 (C) 133.5
3 (CH) 109.2
4 (C) 149.8
5 (C) 145.5
6 (CH) 105.1
7 (C) 153.8
8 (CH) 33.6
9 (CH2) 61.3
1' (C) 139.1
2' (CH) 107.1
3' (C) 153.4
4' (C) 137.9
5' (C) 153.4
6' (CH) 107.1
7' (CH) 43.9
8' (CH) 49.4
9' (C) 171.9
4a (CH2) 101.3
9a (C) 171.9
9b (CH3) 20.7
3'a (CH3) 56.4
4'a (CH3) 60.8
5'a (CH3) 56.4
9'a (CH3) 51.8