2-[(8abeta)-4aalpha-Methyl-7alpha-[(beta-D-glucopyranosyl)oxy]-8-methylenedecalin-2alpha-yl]-2-propanol

2-[(8abeta)-4aalpha-Methyl-7alpha-[(beta-D-glucopyranosyl)oxy]-8-methylenedecalin-2alpha-yl]-2-propanol

Common Name: 2-[(8abeta)-4aalpha-Methyl-7alpha-[(beta-D-glucopyranosyl)oxy]-8-methylenedecalin-2alpha-yl]-2-propanol

Synonyms: 2-[(8abeta)-4aalpha-Methyl-7alpha-[(beta-D-glucopyranosyl)oxy]-8-methylenedecalin-2alpha-yl]-2-propanol

CAS Registry Number:

InChI: InChI=1S/C21H36O7/c1-11-13-9-12(20(2,3)26)5-7-21(13,4)8-6-14(11)27-19-18(25)17(24)16(23)15(10-22)28-19/h12-19,22-26H,1,5-10H2,2-4H3/t12-,13+,14+,15-,16-,17+,18-,19-,21+/m1/s1

InChIKey: InChIKey=SGGXTOQYPKAPMB-GMPYACGESA-N

Formula: C21H36O7

Molecular Weight: 400.507155

Exact Mass: 400.246104

NMR Solvent: CD3OD

MHz:

Calibration:

NMR references: 13C - Fan, C.Q., Zhan, Z.J., Li, H., Yue, J.M. Helv Chim Acta (2004) 87, 1446-51

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eudesmanes; 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 (CH2) 41.32
2 (CH2) 32.77
3 (CH) 80.43
4 (C) 151.17
5 (CH) 49.82
6 (CH2) 26.62
7 (CH) 50.84
8 (CH2) 23.86
9 (CH2) 42.33
10 (C) 37.01
11 (C) 73.62
12 (CH3) 27.18
13 (CH3) 27.6
14 (CH3) 17.11
15 (CH2) 104.92
1' (CH) 103.33
2' (CH) 75.83
3' (CH) 78.5
4' (CH) 72.12
5' (CH) 78.23
6' (CH2) 63.15