Valerosidate

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For Research Use Only.

Category

Iridoid derivatives

Cat.No.

NP3864

CAS

29505-31-5

Product Name

Valerosidate

Structure

Product Details

Description

Valerosidate is extracted from the herbs of Valeriana jatamansi.

Synonyms

[(1S)-1,4aα,5,6,7,7aα-Hexahydro-6α,7β-dihydroxy-7-methyl-1α-(3-methyl-1-oxobutoxy)cyclopenta[c]pyran-4-yl]methyl β-D-glucopyranoside; Valerosidatum; [(1S,4aS,6S,7S,7aS)-6,7-dihydroxy-7-methyl-4-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-1-yl] 3-methylbutanoate

IUPAC Name

[(1S,4aS,6S,7S,7aS)-6,7-dihydroxy-7-methyl-4-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-1-yl] 3-methylbutanoate

Molecular Weight

462.49

Molecular Formula

C21H34O11

Canonical SMILES

CC(C)CC(=O)OC1C2C(CC(C2(C)O)O)C(=CO1)COC3C(C(C(C(O3)CO)O)O)O

InChI

InChI=1S/C21H34O11/c1-9(2)4-14(24)32-19-15-11(5-13(23)21(15,3)28)10(7-29-19)8-30-20-18(27)17(26)16(25)12(6-22)31-20/h7,9,11-13,15-20,22-23,25-28H,4-6,8H2,1-3H3/t11-,12-,13+,15-,16-,17+,18-,19+,20-,21-/m1/s1

InChIKey

LANCLZFYVLANQS-RHMPUOGUSA-N

Purity

0.99

Appearance

Powder

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