(2S)-Tetrahydro-2alpha-(4-acetoxy-3-methoxyphenyl)-4beta-[[3-methoxy-4-[(1R,2R)-2-acetoxy-1-(acetoxymethyl)-2-(4-acetoxy-3-methoxyphenyl)ethoxy]phenyl]methyl]-3beta-furanmethanol acetate

(2S)-Tetrahydro-2alpha-(4-acetoxy-3-methoxyphenyl)-4beta-[[3-methoxy-4-[(1R,2R)-2-acetoxy-1-(acetoxymethyl)-2-(4-acetoxy-3-methoxyphenyl)ethoxy]phenyl]methyl]-3beta-furanmethanol acetate

Common Name: (2S)-Tetrahydro-2alpha-(4-acetoxy-3-methoxyphenyl)-4beta-[[3-methoxy-4-[(1R,2R)-2-acetoxy-1-(acetoxymethyl)-2-(4-acetoxy-3-methoxyphenyl)ethoxy]phenyl]methyl]-3beta-furanmethanol acetate

Synonyms: (2S)-Tetrahydro-2alpha-(4-acetoxy-3-methoxyphenyl)-4beta-[[3-methoxy-4-[(1R,2R)-2-acetoxy-1-(acetoxymethyl)-2-(4-acetoxy-3-methoxyphenyl)ethoxy]phenyl]methyl]-3beta-furanmethanol acetate

CAS Registry Number:

InChI: InChI=1S/C40H46O15/c1-22(41)49-20-31-30(19-51-39(31)28-10-13-32(52-24(3)43)36(17-28)47-7)15-27-9-12-34(35(16-27)46-6)55-38(21-50-23(2)42)40(54-26(5)45)29-11-14-33(53-25(4)44)37(18-29)48-8/h9-14,16-18,30-31,38-40H,15,19-21H2,1-8H3/t30-,31-,38+,39+,40+/m0/s1

InChIKey: InChIKey=XMANHJUDBOHVSB-FBKFKDMTSA-N

Formula: C40H46O15

Molecular Weight: 766.785784

Exact Mass: 766.283671

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Barrero, A.F., Haidour, A., Dorado, M.M., Cuerva, J.M. Phytochemistry (1996) 41, 605-9

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) 135.2
2 (CH) 112.98
3 (C) 150.86
4 (C) 146
5 (CH) 118.94
6 (CH) 120.75
7 (CH2) 33.26
8 (CH) 42.26
9 (CH2) 72.88
1' (C) 138.9
2' (CH) 109.8
3' (C) 150.86
4' (C) 141.6
5' (CH) 122.19
6' (CH) 117.85
7' (CH) 82.95
8' (CH) 49.07
9' (CH2) 62.76
1'' (C) 135.4
2'' (CH) 111.88
3'' (C) 151.17
4'' (C) 140
5'' (CH) 122.89
6'' (CH) 119.64
7'' (CH) 74.51
8'' (CH) 80.4
9'' (CH2) 63.06
3a (CH3) 55.9
3'a (CH3) 55.9
4'a (C) 169.2
4'b (CH3) 20.86
9'a (C) 169.01
9'b (CH3) 20.69
3''a (CH3) 55.9
4''a (C) 171.07
4''b (CH3) 20.69
7''a (C) 170.9
7''b (CH3) 20.91
9''a (C) 169.01
9''b (CH3) 20.69