Gentiournoside D

Datasheet MSDS
Catalog Number
ANC02839
Product Name
Gentiournoside D
CAS Number
157722-21-9
IUPAC Name
(1S,4aS,6S,7R,7aS)-6-(2,3-dihydroxybenzoyl)oxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid
Synonyms
(1S,4aS,6S,7R,7aS)-6-[(2,3-Dihydroxybenzoyl)oxy]-1-(beta-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-7-methylcyclopenta[c]pyran-4-carboxylicacid
Molecular Formula
C23H28O13
Molecular Weight
512.46
Purity
>98%
Solubility
Soluble in DMSO
SMILES
C[C@H]1[C@H](C[C@H]2[C@@H]1[C@@H](OC=C2C(=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)OC(=O)C4=C(C(=CC=C4)O)O
InChI
InChI=1S/C23H28O13/c1-8-13(34-21(32)9-3-2-4-12(25)16(9)26)5-10-11(20(30)31)7-33-22(15(8)10)36-23-19(29)18(28)17(27)14(6-24)35-23/h2-4,7-8,10,13-15,17-19,22-29H,5-6H2,1H3,(H,30,31)/t8-,10+,13-,14+,15+,17+,18-,19+,22-,23-/m0/s1
InChI Key
CAKNXIQZWKLNKL-AOLCZBGXSA-N
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