(1S,8abeta)-1alpha,4aalpha-Dimethyl-1-[[(2S)-2alpha-(1,3-benzodioxole-5-yl)-4beta-(1,3-benzodioxole-5-ylmethyl)tetrahydrofuran-3beta-yl]methoxy]-7alpha-(1-hydroxy-1-methylethyl)decahydronaphthalene

(1S,8abeta)-1alpha,4aalpha-Dimethyl-1-[[(2S)-2alpha-(1,3-benzodioxole-5-yl)-4beta-(1,3-benzodioxole-5-ylmethyl)tetrahydrofuran-3beta-yl]methoxy]-7alpha-(1-hydroxy-1-methylethyl)decahydronaphthalene

Common Name: (1S,8abeta)-1alpha,4aalpha-Dimethyl-1-[[(2S)-2alpha-(1,3-benzodioxole-5-yl)-4beta-(1,3-benzodioxole-5-ylmethyl)tetrahydrofuran-3beta-yl]methoxy]-7alpha-(1-hydroxy-1-methylethyl)decahydronaphthalene

Synonyms: (1S,8abeta)-1alpha,4aalpha-Dimethyl-1-[[(2S)-2alpha-(1,3-benzodioxole-5-yl)-4beta-(1,3-benzodioxole-5-ylmethyl)tetrahydrofuran-3beta-yl]methoxy]-7alpha-(1-hydroxy-1-methylethyl)decahydronaphthalene

CAS Registry Number:

InChI: InChI=1S/C35H46O7/c1-33(2,36)25-10-13-34(3)11-5-12-35(4,31(34)17-25)42-19-26-24(14-22-6-8-27-29(15-22)40-20-38-27)18-37-32(26)23-7-9-28-30(16-23)41-21-39-28/h6-9,15-16,24-26,31-32,36H,5,10-14,17-21H2,1-4H3/t24-,25-,26-,31-,32+,34-,35-/m0/s1

InChIKey: InChIKey=MCNBQWJKHHPKBD-ONPJRHEZSA-N

Formula: C35H46O7

Molecular Weight: 578.736866

Exact Mass: 578.324354

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Kuroyanagi, M., Ikeda, R., Gao, H.Y., Muto, N., Otaki, K., Sano, T., Kawahara, N., Nakane, T. Chem Pharm Bull (2008) 56, 60-3

Species:

Notes: Family : Lignans, Type : Lignans, Group : 7-9-Monoepoxylignans; 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) 134.6
2 (CH) 109
3 (C) 147.6
4 (C) 145.7
5 (CH) 108.1
6 (CH) 121.4
7 (CH2) 33
8 (CH) 42.7
9 (CH2) 72.7
1' (C) 137.7
2' (CH) 106.4
3' (C) 147.5
4' (C) 146.5
5' (CH) 107.8
6' (CH) 118.9
7' (CH) 83.1
8' (CH) 50.9
9' (CH2) 57.2
1'' (CH2) 40.8
2'' (CH2) 19.7
3'' (CH2) 37.6
4'' (C) 76.1
5'' (CH) 52.3
6'' (CH2) 21.6
7'' (CH) 50.1
8'' (CH2) 22.5
9'' (CH2) 45
10'' (C) 34.3
11'' (C) 72.8
12'' (CH3) 26.8
13'' (CH3) 27.3
14'' (CH3) 18.4
15'' (CH3) 19.1
3a (CH2) 100.8
3'a (CH2) 100.8