Spektraris NMR

Common Name: (1S,5S,6R,7S,9R,10S)-5-Methylbutanoyloxy-1,4,9-trihydroxy- 2-oxoxanth-11-en-6,12-olide

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H30O8/c1-6-9(2)18(24)28-17-16-13(11(4)19(25)27-16)8-14(22)12(5)20(17,26)15(23)7-10(3)21/h9-10,12-14,16-17,21-22,26H,4,6-8H2,1-3,5H3/t9?,10?,12-,13?,14+,16+,17-,20+/m0/s1

InChIKey: InChIKey=CFNPAWULBAZKEI-OGCITORJSA-N

Formula: C20H30O8

Molecular Weight: 398.44818

Exact Mass: 398.194068

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Cui, B., Lee, Y.H., Chai, H., Tucker, J.C., Fairchild, C.R., Raventos-Suarez, C., Long, B., Lane, K.E., Menendez, A.T., Beecher, C.W., Cordell, G.A., Pezzuto, J.M., Kinghorn, A.D. J Nat Prod (1999) 62, 1545-50

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Xanthanes; 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)