Valeriotetrate C

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For Research Use Only.

Category

Iridoid derivatives

Cat.No.

NP3814

CAS

904891-20-9

Product Name

Valeriotetrate C

Structure

Product Details

Description

Valeriotetrate C is a natural iridoid compound found in several plants.

Synonyms

((1S,4aR,6S,7R,7aS)-6-acetoxy-4a,7-dihydroxy-1-((3-methylbutanoyl)oxy)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4,7-diyl)bis(methylene) (2R,2'R)-bis(3-methyl-2-((3-methylbutanoyl)oxy)butanoate)

IUPAC Name

[(1S,4aR,6S,7R,7aS)-6-acetyloxy-4a,7-dihydroxy-1-(3-methylbutanoyloxy)-7-[[(2R)-3-methyl-2-(3-methylbutanoyloxy)butanoyl]oxymethyl]-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4-yl]methyl (2R)-3-methyl-2-(3-methylbutanoyloxy)butanoate

Molecular Weight

742.847

Molecular Formula

C37H58O15

Canonical SMILES

CC(C)CC(=O)OC1C2C(CC(C2(COC(=O)C(C(C)C)OC(=O)CC(C)C)O)OC(=O)C)(C(=CO1)COC(=O)C(C(C)C)OC(=O)CC(C)C)O

InChI

InChI=1S/C37H58O15/c1-19(2)12-27(39)50-30(22(7)8)33(42)46-16-25-17-47-35(52-29(41)14-21(5)6)32-36(25,44)15-26(49-24(11)38)37(32,45)18-48-34(43)31(23(9)10)51-28(40)13-20(3)4/h17,19-23,26,30-32,35,44-45H,12-16,18H2,1-11H3/t26-,30+,31+,32-,35-,36-,37+/m0/s1

Purity

>95%

Density

1.2±0.1 g/cm3

Appearance

Oil

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