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

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

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

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

CAS Registry Number:

InChI: InChI=1S/C22H21NO8/c1-26-16-4-10(5-17(27-2)21(16)28-3)18-11-6-14-15(31-9-30-14)7-12(11)20(23-25)13-8-29-22(24)19(13)18/h4-7,13,18-19,25H,8-9H2,1-3H3/b23-20-/t13-,18+,19+/m0/s1

InChIKey: InChIKey=ZHYFWOJSSHWJMP-UTXCRQHPSA-N

Formula: C22H21N1O8

Molecular Weight: 427.404928

Exact Mass: 427.126717

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) 132.7
2 (C) 123.9
3 (CH) 109.5
4 (C) 150.2
5 (C) 148.1
6 (CH) 104.7
7 (C) 154.6
8 (CH) 33.7
9 (CH2) 71
1' (C) 135.1
2' (CH) 105.1
3' (C) 153.7
4' (C) 137.7
5' (C) 153.7
6' (CH) 105.1
7' (CH) 44.8
8' (CH) 45.7
9' (C) 176.3
4a (CH2) 101.7
3'a (CH3) 56.3
4'a (CH3) 60.8
5'a (CH3) 56.3