(1S,3abeta,8aalpha)-1alpha-Methyl-4alpha-(hydroxymethyl)-7beta-[1-methyl-1-(beta-D-glucopyranosyloxy)ethyl]decahydroazulene-2-one

(1S,3abeta,8aalpha)-1alpha-Methyl-4alpha-(hydroxymethyl)-7beta-[1-methyl-1-(beta-D-glucopyranosyloxy)ethyl]decahydroazulene-2-one

Common Name: (1S,3abeta,8aalpha)-1alpha-Methyl-4alpha-(hydroxymethyl)-7beta-[1-methyl-1-(beta-D-glucopyranosyloxy)ethyl]decahydroazulene-2-one

Synonyms: (1S,3abeta,8aalpha)-1alpha-Methyl-4alpha-(hydroxymethyl)-7beta-[1-methyl-1-(beta-D-glucopyranosyloxy)ethyl]decahydroazulene-2-one

CAS Registry Number:

InChI: InChI=1S/C21H36O8/c1-10-13-6-12(5-4-11(8-22)14(13)7-15(10)24)21(2,3)29-20-19(27)18(26)17(25)16(9-23)28-20/h10-14,16-20,22-23,25-27H,4-9H2,1-3H3/t10-,11-,12+,13-,14+,16+,17+,18-,19+,20-/m0/s1

InChIKey: InChIKey=DHMIZXHFFCWELB-BWWMJFBFSA-N

Formula: C21H36O8

Molecular Weight: 416.50656

Exact Mass: 416.241018

NMR Solvent: C5D5N

MHz:

Calibration:

NMR references: 13C - Kitajima, J., Kamoshita, A., Ishikawa, T., Takano, A., Fukuda, T., Isoda, S., Ida, Y. Chem Pharm Bull (2003) 51, 152-7

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) 43.62
2 (CH2) 45.64
3 (C) 218.99
4 (CH) 52.36
5 (CH) 48.93
6 (CH2) 35.8
7 (CH) 50.13
8 (CH2) 25.6
9 (CH2) 28.79
10 (CH) 48.11
11 (C) 80.46
12 (CH3) 24.21
13 (CH3) 24.21
14 (CH2) 65.99
15 (CH3) 12.7
1' (CH) 98.71
2' (CH) 75.46
3' (CH) 78.98
4' (CH) 72.06
5' (CH) 78.18
6' (CH2) 63.12