6-O-Vanilloylajugol

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For Research Use Only.

Category

Iridoid derivatives

Cat.No.

NP3771

CAS

124168-04-3

Product Name

6-O-Vanilloylajugol

Structure

Product Details

Description

6-O-Vanilloylajugol 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-methoxy benzoate

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-methoxybenzoate

Molecular Weight

498.5

Molecular Formula

C23H30O12

Canonical SMILES

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

InChI

InChI=1S/C23H30O12/c1-23(30)8-14(33-20(29)10-3-4-12(25)13(7-10)31-2)11-5-6-32-21(16(11)23)35-22-19(28)18(27)17(26)15(9-24)34-22/h3-7,11,14-19,21-22,24-28,30H,8-9H2,1-2H3/t11-,14+,15+,16+,17+,18-,19+,21-,22-,23-/m0/s1

Purity

98%

Appearance

Powder

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