2-[(8abeta)-4aalpha-Methyl-7alpha-[(beta-D-glucopyranosyl)oxy]-8-methylenedecalin-2alpha-yl]-2-propene-1-ol

2-[(8abeta)-4aalpha-Methyl-7alpha-[(beta-D-glucopyranosyl)oxy]-8-methylenedecalin-2alpha-yl]-2-propene-1-ol

Common Name: 2-[(8abeta)-4aalpha-Methyl-7alpha-[(beta-D-glucopyranosyl)oxy]-8-methylenedecalin-2alpha-yl]-2-propene-1-ol

Synonyms: 2-[(8abeta)-4aalpha-Methyl-7alpha-[(beta-D-glucopyranosyl)oxy]-8-methylenedecalin-2alpha-yl]-2-propene-1-ol

CAS Registry Number:

InChI: InChI=1S/C21H34O7/c1-11(9-22)13-4-6-21(3)7-5-15(12(2)14(21)8-13)27-20-19(26)18(25)17(24)16(10-23)28-20/h13-20,22-26H,1-2,4-10H2,3H3/t13-,14+,15+,16-,17-,18+,19-,20-,21+/m1/s1

InChIKey: InChIKey=ZMWRFLCUMHFFRS-GWVMINLOSA-N

Formula: C21H34O7

Molecular Weight: 398.491274

Exact Mass: 398.230453

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) 41.34
2 (CH2) 32.73
3 (CH) 80.39
4 (C) 150.9
5 (CH) 49.93
6 (CH2) 31.59
7 (CH) 42.86
8 (CH2) 28.83
9 (CH2) 42.31
10 (C) 37.09
11 (C) 155.63
12 (CH2) 108.51
13 (CH2) 65.6
14 (CH3) 17.12
15 (CH2) 105.01
1' (CH) 103.35
2' (CH) 75.82
3' (CH) 78.5
4' (CH) 72.11
5' (CH) 78.23
6' (CH2) 63.15