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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP017479

Scutebarbatine E

Formula: C33H33NO8  |  Mol. Weight: 571.60 g/mol

IUPAC: [(1R,2S,3R,4R,4aS,8aR)-2-benzoyloxy-3-hydroxy-3,4,8a-trimethyl-8-methylidene-7-oxo-4-[(E)-2-(5-oxo-2H-furan-3-yl)ethenyl]-2,4a,5,6-tetrahydro-1H-naphthalen-1-yl] pyridine-3-carboxylate

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Overview

Molecular Formula C33H33NO8
Molecular Weight 571.60 g/mol
Canonical SMILES CC1(C2CCC(=O)C(=C)C2(C(C(C1(C)O)OC(=O)C3=CC=CC=C3)OC(=O)C4=CN=CC=C4)C)C=CC5=CC(=O)OC5

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy