(4aR)-3-Methyl-5-methylene-6beta-(beta-D-glucopyranosyloxy)-8abeta-methyl-9abeta-hydroxy-2,4,4aalpha,5,6,7,8,8a,9,9a-decahydronaphtho[2,3-b]furan-2-one

(4aR)-3-Methyl-5-methylene-6beta-(beta-D-glucopyranosyloxy)-8abeta-methyl-9abeta-hydroxy-2,4,4aalpha,5,6,7,8,8a,9,9a-decahydronaphtho[2,3-b]furan-2-one

Common Name: (4aR)-3-Methyl-5-methylene-6beta-(beta-D-glucopyranosyloxy)-8abeta-methyl-9abeta-hydroxy-2,4,4aalpha,5,6,7,8,8a,9,9a-decahydronaphtho[2,3-b]furan-2-one

Synonyms: (4aR)-3-Methyl-5-methylene-6beta-(beta-D-glucopyranosyloxy)-8abeta-methyl-9abeta-hydroxy-2,4,4aalpha,5,6,7,8,8a,9,9a-decahydronaphtho[2,3-b]furan-2-one

CAS Registry Number:

InChI: InChI=1S/C21H30O9/c1-9-11-6-12-10(2)18(26)30-21(12,27)8-20(11,3)5-4-13(9)28-19-17(25)16(24)15(23)14(7-22)29-19/h11,13-17,19,22-25,27H,1,4-8H2,2-3H3/t11-,13-,14+,15+,16-,17+,19+,20+,21-/m0/s1

InChIKey: InChIKey=FJROEPPXQDZORC-BMYZHNRGSA-N

Formula: C21H30O9

Molecular Weight: 426.458321

Exact Mass: 426.188983

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 : 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) 39.34
2 (CH2) 30.85
3 (CH) 78.18
4 (C) 148.56
5 (CH) 50.16
6 (CH2) 24.88
7 (C) 161.72
8 (C) 104.56
9 (CH2) 51.31
10 (C) 36.96
11 (C) 121.77
12 (C) 8.32
13 (CH3) 172.65
14 (CH3) 17.14
15 (CH2) 106.04
1' (CH) 103.18
2' (CH) 75.6
3' (CH) 78.77
4' (CH) 71.86
5' (CH) 78.72
6' (CH2) 62.91