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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP016853

Scutebarbatine D

Formula: C33H35NO8  |  Mol. Weight: 573.60 g/mol

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

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Overview

Molecular Formula C33H35NO8
Molecular Weight 573.60 g/mol
Canonical SMILES CC1(C2CCC(C(=C)C2(C(C(C1(C)O)OC(=O)C3=CC=CC=C3)OC(=O)C4=CN=CC=C4)C)O)C=CC5=CC(=O)OC5

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy