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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP005337

[(1S,3Z,5S,7S,10S,13R)-13-acetyloxy-2,7,10-trihydroxy-8,12,15,15-tetramethyl-9-oxo-5-tricyclo[9.3.1.14,8]hexadeca-3,11-dienyl] (2S,3R)-3-(dimethylamino)-2-hydroxy-3-phenylpropanoate

Formula: C33H45NO9  |  Mol. Weight: 599.70 g/mol

IUPAC: [(1S,3Z,5S,7S,10S,13R)-13-acetyloxy-2,7,10-trihydroxy-8,12,15,15-tetramethyl-9-oxo-5-tricyclo[9.3.1.14,8]hexadeca-3,11-dienyl] (2S,3R)-3-(dimethylamino)-2-hydroxy-3-phenylpropanoate

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Overview

Molecular Formula C33H45NO9
Molecular Weight 599.70 g/mol
Canonical SMILES CC1=C2C(C(=O)C3(CC(=CC(C(C2(C)C)CC1OC(=O)C)O)C(CC3O)OC(=O)C(C(C4=CC=CC=C4)N(C)C)O)C)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy