Polygalaxanthone III Acetate

Polygalaxanthone III Acetate

Common Name: Polygalaxanthone III Acetate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C43H46O24/c1-17(44)56-15-43(67-25(9)52)16-57-42(41(43)64-24(8)51)55-14-32-36(61-21(5)48)39(62-22(6)49)40(63-23(7)50)38(66-32)34-31(60-20(4)47)13-30(59-19(3)46)33-35(53)26-11-28(54-10)29(58-18(2)45)12-27(26)65-37(33)34/h11-13,32,36,38-42H,14-16H2,1-10H3/t32-,36-,38+,39+,40+,41+,42-,43-/m1/s1

InChIKey: InChIKey=QHRRYCLTSAJORS-LXPHSDRASA-N

Formula: C43H46O24

Molecular Weight: 946.812637

Exact Mass: 946.237902

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Ikeya, Y., Sugama, K., Maruno, M. Chem Pharm Bull (1994) 42, 2305-8

Species:

Notes: Family : Aromatics, Type : Xanthones; 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) 157.4
2 (CH) 110.6
3 (C) 154.1
4 (C) 118.1
4a (C) 149.6
5 (CH) 112.4
6 (C) 146
7 (C) 149
8 (CH) 106.3
8a (C) 120.4
9 (C) 174
9a (C) 112.1
10a (C) 149.7
1' (CH) 72.3
2' (CH) 69.6
3' (CH) 74.5
4' (CH) 69.3
5' (CH) 77.8
6' (CH2) 66.9
1'' (CH) 106.7
2'' (CH) 76
3'' (C) 83.7
4'' (CH2) 72.4
5'' (CH2) 62.9
1a (C) 167.8
1b (CH3) 20.4
3a (C) 168.6
3b (CH3) 20.5
6a (C) 168
6b (CH3) 20.6
7a (CH3) 56.5
2'a (C) 169
2'b (CH3) 20.7
3'a (C) 169.6
3'b (CH3) 20.7
4'a (C) 169.7
4'b (CH3) 20.7
2''a (C) 169.8
2''b (CH3) 21.1
3''a (C) 170.3
3''b (CH3) 21.3
5''a (C) 170.4
5''b (CH3) 21.4