Dehydrobruceantin

For Research Use Only.
Category
Diterpenoids
Cat.No.
NP1389
CAS
53662-98-9
Product Name
Dehydrobruceantin
Structure

Product Details

Description
Dehydrobruceantin is extracted from the seeds of Brucea javanica (L.) Merr. It shows anti-tuberculosis activity.
Synonyms
15β-[[(E)-3,4-Dimethyl-1-oxo-2-pentenyl]oxy]-13,20-epoxy-2,11β,12α-trihydroxy-3,16-dioxopicrasa-1,4-dien-21-oic acid methyl ester
IUPAC Name
methyl 3-[(E)-3,4-dimethylpent-2-enoyl]oxy-11,15,16-trihydroxy-9,13-dimethyl-4,10-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadeca-8,11-diene-17-carboxylate
Molecular Weight
546.56
Molecular Formula
C28H34O11
Canonical SMILES
CC1=C2CC3C45COC(C4C(C(=O)O3)OC(=O)C=C(C)C(C)C)(C(C(C5C2(C=C(C1=O)O)C)O)O)C(=O)OC
InChI
InChI=1S/C28H34O11/c1-11(2)12(3)7-17(30)39-20-22-27-10-37-28(22,25(35)36-6)23(33)19(32)21(27)26(5)9-15(29)18(31)13(4)14(26)8-16(27)38-24(20)34/h7,9,11,16,19-23,29,32-33H,8,10H2,1-6H3/b12-7+
InChIKey
ZLLWLVCJZCJECL-KPKJPENVSA-N
Purity
98.0%
Appearance
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Form
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Packaging
1 mg
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