Aglain B

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For Research Use Only.

Category

Alkaloids

Cat.No.

NP0113

CAS

177262-32-7

Product Name

Aglain B

Structure

Product Details

Description

Aglain B is a natural alkaloid compound found in some plant.

Synonyms

N-((S)-1-((2R,3R,4S,5R,10S)-5,10-dihydroxy-6,8-dimethoxy-2-(4-methoxyphenyl)-3-phenyl-2,3,4,5-tetrahydro-2,5-methanobenzo[b]oxepine-4-carbonyl)pyrrolidin-2-yl)-2-methylbutanamide

IUPAC Name

N-[(2S)-1-[(1R,9R,10R,11S,12S)-1,12-dihydroxy-3,5-dimethoxy-9-(4-methoxyphenyl)-10-phenyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-11-carbonyl]pyrrolidin-2-yl]-2-methylbutanamide

Molecular Weight

630.73

Molecular Formula

C36H42N2O8

Canonical SMILES

CCC(C)C(=O)NC1CCCN1C(=O)C2C(C3(C(C2(C4=C(O3)C=C(C=C4OC)OC)O)O)C5=CC=C(C=C5)OC)C6=CC=CC=C6

InChI

InChI=1S/C36H42N2O8/c1-6-21(2)32(39)37-28-13-10-18-38(28)33(40)31-29(22-11-8-7-9-12-22)36(23-14-16-24(43-3)17-15-23)34(41)35(31,42)30-26(45-5)19-25(44-4)20-27(30)46-36/h7-9,11-12,14-17,19-21,28-29,31,34,41-42H,6,10,13,18H2,1-5H3,(H,37,39)/t21?,28-,29-,31+,34-,35-,36-/m0/s1

InChIKey

KPCVKSYNYMIDEN-CQDAKBOLSA-N

Purity

>96%

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