Shanzhiside methyl ester

Datasheet MSDS
Catalog Number
ANC02878
Product Name
Shanzhiside methyl ester
CAS Number
64421-28-9
IUPAC Name
methyl (1S,4aS,5R,7S,7aS)-5,7-dihydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate
Synonyms
(1S)-1α-(β-D-Glucopyranosyloxy)-1,4aα,5,6,7,7aα-hexahydro-5α,7α-dihydroxy-7β-methylcyclopenta[c]pyran-4-carboxylicacidmethylester;
Molecular Formula
C17H26O11
Molecular Weight
406.4
Appearance
Powder
Purity
≥98%
SMILES
C[C@@]1(C[C@H]([C@H]2[C@@H]1[C@@H](OC=C2C(=O)OC)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O
InChI
InChI=1S/C17H26O11/c1-17(24)3-7(19)9-6(14(23)25-2)5-26-15(10(9)17)28-16-13(22)12(21)11(20)8(4-18)27-16/h5,7-13,15-16,18-22,24H,3-4H2,1-2H3/t7-,8-,9+,10-,11-,12+,13-,15+,16+,17+/m1/s1
InChI Key
KKSYAZCUYVRKML-IRDZEPHTSA-N
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