(-)-3-Methylbutanoic acid (1S)-4-[(β-D-glucopyranosyloxy)methyl]-1,4aα,5,6,7,7aα-hexahydro-7α-methyl


CAS No. : 103553-93-1

(-)-3-Methylbutanoic acid (1S)-4-[(β-D-glucopyranosyloxy)methyl]-1,4aα,5,6,7,7aα-hexahydro-7α-methyl,103553-93-1
Product Details
Cat No:M007287
Molecular Formula:C21H32O10
Molecular Weight:444.477
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Cat No:M007287
Cas No:103553-93-1
Product-Name:(-)-3-Methylbutanoic acid (1S)-4-[(β-D-glucopyranosyloxy)methyl]-1,4aα,5,6,7,7aα-hexahydro-7α-methyl
IUPAC Name:[(1S,4aS,7R,7aS)-7-methyl-6-oxo-4-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4a,5,7,7a-tetrahydro-1H-cyclopenta[c]pyran-1-yl] 3-methylbutanoate
InChI:InChI=1S/C21H32O10/c1-9(2)4-15(24)31-20-16-10(3)13(23)5-12(16)11(7-28-20)8-29-21-19(27)18(26)17(25)14(6-22)30-21/h7,9-10,12,14,16-22,25-27H,4-6,8H2,1-3H3/t10-,12+,14+,16+,17+,18-,19+,20-,21+/m0/s1
InChIKey:XKQWFBQKSSYGBS-WPHWWJDCSA-N
SMILES:CC1C2C(CC1=O)C(=COC2OC(=O)CC(C)C)COC3C(C(C(C(O3)CO)O)O)O
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