2-[[(1R)-6alpha-Hydroxy-4beta,7-dimethyl-1,2,3,4,4abeta,5,6,8abeta-octahydronaphthalene]-1alpha-yl]acrylic acid beta-D-glucopyranosyl ester

2-[[(1R)-6alpha-Hydroxy-4beta,7-dimethyl-1,2,3,4,4abeta,5,6,8abeta-octahydronaphthalene]-1alpha-yl]acrylic acid beta-D-glucopyranosyl ester

Common Name: 2-[[(1R)-6alpha-Hydroxy-4beta,7-dimethyl-1,2,3,4,4abeta,5,6,8abeta-octahydronaphthalene]-1alpha-yl]acrylic acid beta-D-glucopyranosyl ester

Synonyms: 2-[[(1R)-6alpha-Hydroxy-4beta,7-dimethyl-1,2,3,4,4abeta,5,6,8abeta-octahydronaphthalene]-1alpha-yl]acrylic acid beta-D-glucopyranosyl ester

CAS Registry Number:

InChI: InChI=1S/C21H32O8/c1-9-4-5-12(14-6-10(2)15(23)7-13(9)14)11(3)20(27)29-21-19(26)18(25)17(24)16(8-22)28-21/h6,9,12-19,21-26H,3-5,7-8H2,1-2H3/t9-,12+,13+,14-,15+,16-,17-,18+,19-,21+/m1/s1

InChIKey: InChIKey=HVBCZRDFGWFIHZ-ZNIIFUFFSA-N

Formula: C21H32O8

Molecular Weight: 412.474797

Exact Mass: 412.209718

NMR Solvent: C5D5N

MHz:

Calibration:

NMR references: 13C - Kawamoto, H., Asada, Y., Sekine, H., Furuya, T. Phytochemistry (1998) 48, 1329-33

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Amorphanes; 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) 41.5
2 (CH2) 35.5
3 (CH) 67
4 (C) 137.4
5 (CH) 123.4
6 (CH) 39.3
7 (CH) 43
8 (CH2) 26.7
9 (CH2) 36.2
10 (CH) 29.1
11 (C) 143.7
12 (C) 166.4
13 (CH2) 126
14 (CH3) 21.7
15 (CH3) 20.8
1' (CH) 96.6
2' (CH) 74.6
3' (CH) 78.8
4' (CH) 71.1
5' (CH) 79.8
6' (CH2) 62.2