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

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

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

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H26O6/c1-6-8-15(21)20(24)12(4)9-10-14-13(5)19(23)25-16(14)17(20)26-18(22)11(3)7-2/h6-8,12,14,16-17,24H,5,9-10H2,1-4H3/b8-6+,11-7-/t12-,14?,16+,17-,20+/m0/s1

InChIKey: InChIKey=WZMSNQSBWAAHTM-OKUSUERFSA-N

Formula: C20H26O6

Molecular Weight: 362.417607

Exact Mass: 362.172939

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) 83.4
2 (C) 199.3
3 (CH) 125.2
4 (CH) 145.8
5 (CH) 78.7
6 (CH) 77.9
7 (CH) 38.9
8 (CH2) 28.7
9 (CH2) 27.6
10 (CH) 35
11 (C) 137.9
12 (C) 169.3
13 (CH2) 123.1
14 (CH3) 15.3
15 (CH3) 18.5
5a (C) 167.7
5b (C) 126.4
5c (CH) 141
5d (CH3) 15.8
52a (CH3) 20.2