9a-Hydroxy-11b(13)-dihydrozaluzanin C-3-O-b-allopyranoside

9a-Hydroxy-11b(13)-dihydrozaluzanin C-3-O-b-allopyranoside

Common Name: 9a-Hydroxy-11b(13)-dihydrozaluzanin C-3-O-b-allopyranoside

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C21H30O9/c1-7-10-5-13(28-21-18(26)17(25)16(24)14(6-22)29-21)9(3)15(10)19-11(4-12(7)23)8(2)20(27)30-19/h8,10-19,21-26H,1,3-6H2,2H3/t8-,10-,11-,12+,13-,14+,15-,16+,17+,18-,19-,21+/m0/s1

InChIKey: InChIKey=GHVUDSYPMZZROW-BQSRPMMNSA-N

Formula: C21H30O9

Molecular Weight: 426.458321

Exact Mass: 426.188983

NMR Solvent: C5D5N

MHz:

Calibration:

NMR references: 13C - Kisiel W., Michalska K. Phytochemistry (2002) 61, 891-4

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) 36.23
2 (CH2) 37.51
3 (CH) 80.83
4 (C) 151.63
5 (CH) 49.29
6 (CH) 84.2
7 (CH) 45.3
8 (CH2) 40.84
9 (CH) 73.15
10 (C) 153.74
11 (CH) 41.9
12 (C) 178.72
13 (CH3) 13.34
14 (CH2) 110.55
15 (CH2) 111.71
1' (CH) 102.44
2' (CH) 72.54
3' (CH) 73.15
4' (CH) 69.3
5' (CH) 75.88
6' (CH2) 63.23