Common Name: (1S,3abeta,8aalpha)-1alpha-Methyl-4alpha-(hydroxymethyl)-4-hydroxy-7beta-[1-methyl-1-(beta-D-glucopyranosyloxy)ethyl]decahydroazulene-2-one
Synonyms: (1S,3abeta,8aalpha)-1alpha-Methyl-4alpha-(hydroxymethyl)-4-hydroxy-7beta-[1-methyl-1-(beta-D-glucopyranosyloxy)ethyl]decahydroazulene-2-one
CAS Registry Number:
InChI: InChI=1S/C21H36O9/c1-10-12-6-11(4-5-21(28,9-23)13(12)7-14(10)24)20(2,3)30-19-18(27)17(26)16(25)15(8-22)29-19/h10-13,15-19,22-23,25-28H,4-9H2,1-3H3/t10-,11+,12-,13-,15+,16+,17-,18+,19-,21+/m0/s1
InChIKey: InChIKey=KWDNQVRRYNIDTM-VKAANZDISA-N
Formula: C21H36O9
Molecular Weight: 432.505965
Exact Mass: 432.235933
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, 673-8
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)
Position | PPM |
---|---|
1 (CH) | 51.01 |
2 (CH2) | 40.24 |
3 (C) | 219.38 |
4 (CH) | 52.59 |
5 (CH) | 46.06 |
6 (CH2) | 37.58 |
7 (CH) | 50.93 |
8 (CH2) | 23.27 |
9 (CH2) | 39.8 |
10 (C) | 75.43 |
11 (C) | 80.43 |
12 (CH3) | 24.13 |
13 (CH3) | 24.26 |
14 (CH2) | 68.12 |
15 (CH3) | 13.29 |
1' (CH) | 98.7 |
2' (CH) | 75.4 |
3' (CH) | 78.99 |
4' (CH) | 72.01 |
5' (CH) | 78.15 |
6' (CH2) | 63.06 |