Bruceantinol

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For Research Use Only.

Category

Diterpenoids

Cat.No.

NP1583

CAS

53729-52-5

Product Name

Bruceantinol

Structure

Product Details

Description

Bruceantinol is extracted from the fruits of Brucea javanica (L.) Merr. It inhibits Trypanosoma evansi in vitro and inhibits pepper mottle virus in pepper. It has antiviral activity and antibabesial activity against Babesia gibsoni in vitro, which IC50 value is 12 ng/mL.

Synonyms

BRUCEANTINOL; 53729-52-5; CHEBI:3189C08750; methyl (1R,2S,3R,6R,8R,13S,14R,15R,16S,17S)-3-[(E)-4-acetyloxy-3,4-dimethylpent-2-enoyl]oxy-10,15,16-trihydroxy-9,13-dimethyl-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate

IUPAC Name

methyl (1R,2S,3R,6R,8R,13S,14R,15R,16S,17S)-3-[(E)-4-acetyloxy-3,4-dimethylpent-2-enoyl]oxy-10,15,16-trihydroxy-9,13-dimethyl-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate

Molecular Weight

606.62

Molecular Formula

C30H38O13

Canonical SMILES

CC1=C(C(=O)CC2(C1CC3C45C2C(C(C(C4C(C(=O)O3)OC(=O)C=C(C)C(C)(C)OC(=O)C)(OC5)C(=O)OC)O)O)C)O

InChI

InChI=1S/C30H38O13/c1-12(27(4,5)43-14(3)31)8-18(33)42-21-23-29-11-40-30(23,26(38)39-7)24(36)20(35)22(29)28(6)10-16(32)19(34)13(2)15(28)9-17(29)41-25(21)37/h8,15,17,20-24,34-36H,9-11H2,1-7H3/b12-8+/t15-,17+,20+,21+,22+,23+,24-,28-,29+,30-/m0/s1

InChIKey

SREUSBYRKOPNJK-AJPRWBMOSA-N

Purity

97.5%

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