(1S,5S,6R,7R,8R,9S,10S)-5-Angeloyloxy-8,9-epoxy-1-hydroxy- 2-oxoxantha-3,11-dien-6,12-olide

(1S,5S,6R,7R,8R,9S,10S)-5-Angeloyloxy-8,9-epoxy-1-hydroxy- 2-oxoxantha-3,11-dien-6,12-olide

Common Name: (1S,5S,6R,7R,8R,9S,10S)-5-Angeloyloxy-8,9-epoxy-1-hydroxy- 2-oxoxantha-3,11-dien-6,12-olide

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H24O7/c1-6-8-12(21)20(24)11(5)14-15(25-14)13-10(4)19(23)26-16(13)17(20)27-18(22)9(3)7-2/h6-8,11,13-17,24H,4H2,1-3,5H3/b8-6+,9-7-/t11-,13?,14-,15+,16+,17-,20+/m0/s1

InChIKey: InChIKey=BHTATZDUYXWHPP-JMOGDXSRSA-N

Formula: C20H24O7

Molecular Weight: 376.401131

Exact Mass: 376.152203

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) 83.9
2 (C) 199.2
3 (CH) 125.1
4 (CH) 146.8
5 (CH) 78.6
6 (CH) 76
7 (CH) 41.8
8 (CH) 56.8
9 (CH) 56.3
10 (CH) 39.9
11 (C) 136.4
12 (C) 168
13 (CH2) 125.7
14 (CH3) 11.9
15 (CH3) 18.7
5a (C) 168
5b (C) 126.3
5c (CH) 141.7
5d (CH3) 15.9
52a (CH3) 20