Volvaltrate B

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For Research Use Only.

Category

Iridoid derivatives

Cat.No.

NP3787

CAS

1181224-13-4

Product Name

Volvaltrate B

Structure

Product Details

Description

Volvaltrate B is a natural iridoid compound found in several plants.

Synonyms

Valtrate J

IUPAC Name

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

Molecular Weight

577.06

Molecular Formula

C27H41ClO11

Canonical SMILES

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

InChI

InChI=1S/C27H41ClO11/c1-14(2)8-20(30)38-22(16(5)6)24(32)35-11-18-12-36-25(39-21(31)9-15(3)4)23-26(18,33)10-19(37-17(7)29)27(23,34)13-28/h12,14-16,19,22-23,25,33-34H,8-11,13H2,1-7H3/t19-,22+,23-,25-,26-,27+/m0/s1

InChIKey

OEVPPNBQSYOUCV-PXKJKYEHSA-N

Boiling Point

632.3±55.0°C (Predicted)

Purity

>95%

Density

1.3±0.1 g/cm3

Appearance

Powder

pKa

11.14±0.70(Predicted)

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