Acevaltrate

Name: Acevaltrate
Brand: BOC Sciences
Rating: 5 (1 reviews)

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For Research Use Only.

Category

Iridoids

Cat.No.

NP3869

CAS

25161-41-5

Product Name

Acevaltrate

Structure

Product Details

Description

Acevaltrate is a natural iridoid compound found in several plants.

Synonyms

Acetoxyvaltrate; (Acetyloxy)valepotriate; 3-Acetyloxy-3-methylbutyric acid [(1S,7R)-4-(acetyloxy)methyl-6,7aα-dihydro-1α-(3-methyl-1-oxobutoxy)spiro[cyclopenta[c]pyran-7(1H),2'-oxiran]-6α-yl] ester

IUPAC Name

[(1S,6S,7R,7aS)-4-(acetyloxymethyl)-1-(3-methylbutanoyloxy)spiro[6,7a-dihydro-1H-cyclopenta[c]pyran-7,2'-oxirane]-6-yl] 3-acetyloxy-3-methylbutanoate

Molecular Weight

480.50

Molecular Formula

C24H32O10

Canonical SMILES

CC(C)CC(=O)O[C@H]1[C@H]2C(=C[C@@H]([C@]23CO3)OC(=O)CC(C)(C)OC(=O)C)C(=CO1)COC(=O)C

InChI

InChI=1S/C24H32O10/c1-13(2)7-19(27)33-22-21-17(16(11-30-22)10-29-14(3)25)8-18(24(21)12-31-24)32-20(28)9-23(5,6)34-15(4)26/h8,11,13,18,21-22H,7,9-10,12H2,1-6H3/t18-,21+,22-,24+/m0/s1

InChIKey

FWKBQAVMKVZEOT-STCFVSJZSA-N

Boiling Point

538.7±50.0 °C (Predicted)

Melting Point

80-81 °C

Purity

98%

Density

1.3±0.1 g/cm3

Solubility

Soluble in DMSO

Appearance

White to Off-white Solid

Storage

Store at 2-8 °C

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