(1S,5S,6R,7S,10R)-1-Hydroxy-4-methoxy-5-methylbutanoyloxy- 2,9-dioxoxanth-11-en-6,12-olide

(1S,5S,6R,7S,10R)-1-Hydroxy-4-methoxy-5-methylbutanoyloxy- 2,9-dioxoxanth-11-en-6,12-olide

Common Name: (1S,5S,6R,7S,10R)-1-Hydroxy-4-methoxy-5-methylbutanoyloxy- 2,9-dioxoxanth-11-en-6,12-olide

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C21H32O8/c1-7-10(2)19(24)29-18-17-14(12(4)20(25)28-17)9-15(22)13(5)21(18,26)16(23)8-11(3)27-6/h10-11,13-15,17-18,22,26H,4,7-9H2,1-3,5-6H3/t10?,11?,13-,14?,15+,17+,18-,21+/m0/s1

InChIKey: InChIKey=BPANKJYSJGAZIG-JPYKHIEFSA-N

Formula: C21H32O8

Molecular Weight: 412.474797

Exact Mass: 412.209718

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)

Carbon NMR Peaks

Position PPM
1 (C) 81.8
2 (C) 211.9
3 (CH2) 47.7
4 (CH) 73
5 (CH) 75.5
6 (CH) 75.8
7 (CH) 36.1
8 (CH2) 44
9 (CH) 207.1
10 (CH) 48.8
11 (C) 137
12 (C) 167.8
13 (CH2) 124.2
14 (CH3) 11.4
15 (CH3) 18.9
4a (CH3) 56
5a (C) 175.5
5b (CH) 41
5c (CH2) 26.7
5d (CH3) 9
52a (CH3) 16.1