6-O-Syringoylajugol

Inquiry

For Research Use Only.

Category

Iridoid derivatives

Cat.No.

NP3794

CAS

144049-72-9

Product Name

6-O-Syringoylajugol

Structure

Product Details

Description

6-O-Syringoylajugol isolated from the herbs of Rehmannia glutinosa (Gaert.) Libosch. ex Fisch. et Mey.

Synonyms

(1S,4aR,5R,7S,7aS)-1-(β-D-Glucopyranosyloxy)-7-hydroxy-7-methyl-1 ,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-5-yl 4-hydroxy-3,5-dimet hoxybenzoate

IUPAC Name

[(1S,4aR,5R,7S,7aS)-7-hydroxy-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-5-yl] 4-hydroxy-3,5-dimethoxybenzoate

Molecular Weight

528.5

Molecular Formula

C24H32O13

Canonical SMILES

CC1(CC(C2C1C(OC=C2)OC3C(C(C(C(O3)CO)O)O)O)OC(=O)C4=CC(=C(C(=C4)OC)O)OC)O

InChI

InChI=1S/C24H32O13/c1-24(31)8-14(35-21(30)10-6-12(32-2)17(26)13(7-10)33-3)11-4-5-34-22(16(11)24)37-23-20(29)19(28)18(27)15(9-25)36-23/h4-7,11,14-16,18-20,22-23,25-29,31H,8-9H2,1-3H3/t11-,14+,15+,16+,18+,19-,20+,22-,23-,24-/m0/s1

Boiling Point

762.5±60.0°C (Predicted)

Purity

96%

Density

1.54±0.1 g/cm3(Predicted)

Appearance

Powder

pKa

8.16±0.25(Predicted)

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