Sophoradione

Sophoradione

Common Name: Sophoradione

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C25H28O7/c1-13(2)6-7-15(14(3)4)10-18-20(28)12-21(32-5)22(23(18)29)25(31)24(30)17-9-8-16(26)11-19(17)27/h6,8-9,11-12,15,26-29H,3,7,10H2,1-2,4-5H3

InChIKey: InChIKey=NYHVTLRKAYFBIT-UHFFFAOYSA-N

Formula: C25H28O7

Molecular Weight: 440.486573

Exact Mass: 440.183503

NMR Solvent: CD3COCD3

MHz:

Calibration:

NMR references: 13C - Shen, C.C., Lin, T.W., Huang, Y.L., Wan, S.T., Shien, B.J., Chen, C.C. J Nat Prod (2006) 69, 1237-40

Species:

Notes: Family : Aromatics, Type : Stilbenes, Group : Stilbenes; 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) 103.2
2 (C) 166.4
3 (C) 108.9
4 (C) 167
5 (CH) 92
6 (C) 162.1
α (C) 195.4
β (C) 194.5
1' (C) 110.8
2' (C) 166.2
3' (CH) 103.8
4' (C) 166.1
5' (CH) 109.5
6' (CH) 134.4
1'' (CH2) 27.3
2'' (CH) 47.5
3'' (CH2) 32.1
4'' (CH) 124.4
5'' (C) 131.6
6'' (CH3) 17.9
7'' (CH3) 25.9
8'' (C) 149
9'' (CH2) 111.4
10'' (CH3) 18.8
6a (CH3) 56.1