8α-Hydroxy-11α,13-dihydroglucozaluzanin C

8α-Hydroxy-11α,13-dihydroglucozaluzanin C

Common Name: 8α-Hydroxy-11α,13-dihydroglucozaluzanin C

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C21H30O9/c1-7-4-11(23)15-9(3)20(27)30-19(15)14-8(2)12(5-10(7)14)28-21-18(26)17(25)16(24)13(6-22)29-21/h9-19,21-26H,1-2,4-6H2,3H3/t9-,10+,11+,12+,13-,14+,15-,16-,17+,18-,19-,21-/m1/s1

InChIKey: InChIKey=ALFNDZUCKXOXII-YIYJKGBESA-N

Formula: C21H30O9

Molecular Weight: 426.458321

Exact Mass: 426.188983

NMR Solvent: CD3OD

MHz:

Calibration:

NMR references: 13C - Li, X.S., Liu, J.Y., Cai, J.N., Cai, P.L. Magn Reson Chem (2008) 46, 1070-3

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Guaianes; 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 (CH) 46.3
2 (CH2) 38.4
3 (CH) 81.6
4 (C) 151
5 (CH) 52.5
6 (CH) 81.2
7 (CH) 54.7
8 (CH) 70.9
9 (CH2) 46
10 (C) 145.9
11 (CH) 40.5
12 (C) 182.5
13 (CH3) 11.8
14 (CH2) 116.4
15 (CH2) 115.7
1' (CH) 102.5
2' (CH) 75.8
3' (CH) 78.8
4' (CH) 72.4
5' (CH) 78.4
6' (CH2) 63.4