(3S,3aR,4S,6aR,8S,9aR,9bR)-4-Hydroxy-3-methyl-6,9-bis(methylene)-2-oxododecahydroazuleno[4,5-b]furan-8-yl β-D-glucopyranoside

(3S,3aR,4S,6aR,8S,9aR,9bR)-4-Hydroxy-3-methyl-6,9-bis(methylene)-2-oxododecahydroazuleno[4,5-b]furan-8-yl β-D-glucopyranoside

Common Name: (3S,3aR,4S,6aR,8S,9aR,9bR)-4-Hydroxy-3-methyl-6,9-bis(methylene)-2-oxododecahydroazuleno[4,5-b]furan-8-yl β-D-glucopyranoside

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-/m0/s1

InChIKey: InChIKey=ALFNDZUCKXOXII-ISLKSCFNSA-N

Formula: C21H30O9

Molecular Weight: 426.458321

Exact Mass: 426.188983

NMR Solvent: C5D5N

MHz:

Calibration:

NMR references: 13C - Kisie, W., Zielinska, K., Joshi, S.P. Phytochemistry (2000) 54, 763-6

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) 43.3
2 (CH2) 38.5
3 (CH) 87.3
4 (C) 45.5
5 (CH) 51.7
6 (CH) 80.7
7 (CH) 56.3
8 (CH) 63.7
9 (CH2) 45.2
10 (C) 144.3
11 (CH) 37
12 (C) 178.9
13 (CH3) 13.2
14 (CH2) 115.4
15 (CH2) 18.6
1' (CH) 105.8
2' (CH) 75.4
3' (CH) 78.5
4' (CH) 71.8
5' (CH) 78.3
6' (CH2) 63