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

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

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

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H26O7/c1-6-8-14(22)20(25)11(4)9-13(21)15-12(5)19(24)26-16(15)17(20)27-18(23)10(3)7-2/h6-8,11,13,15-17,21,25H,5,9H2,1-4H3/b8-6+,10-7-/t11-,13-,15?,16+,17-,20+/m0/s1

InChIKey: InChIKey=HJXOXGRXNRMHTP-IZHIADEOSA-N

Formula: C20H26O7

Molecular Weight: 378.417012

Exact Mass: 378.167853

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) 83.6
2 (C) 200.9
3 (CH) 126.2
4 (CH) 144.9
5 (CH) 78.8
6 (CH) 78.8
7 (CH) 45.2
8 (CH) 64.9
9 (CH2) 38.3
10 (CH) 33.9
11 (C) 134.8
12 (C) 168.2
13 (CH2) 126.5
14 (CH3) 15.5
15 (CH3) 18.5
5a (C) 169.9
5b (C) 127.9
5c (CH) 141.1
5d (CH3) 16.1
52a (CH3) 20.5