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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP032805

methyl (4R,8R,9R,10R,11R,12R,13S,17R)-11-acetyloxy-6-hydroxy-17-(2-hydroxy-5-oxo-2H-furan-4-yl)-4,8,10,13-tetramethyl-12-(2-methylpropanoyloxy)-3,7-dioxo-11,12,16,17-tetrahydro-9H-cyclopenta[a]phenanthrene-4-carboxylate

Formula: C33H38O12  |  Mol. Weight: 626.60 g/mol

IUPAC: methyl (4R,8R,9R,10R,11R,12R,13S,17R)-11-acetyloxy-6-hydroxy-17-(2-hydroxy-5-oxo-2H-furan-4-yl)-4,8,10,13-tetramethyl-12-(2-methylpropanoyloxy)-3,7-dioxo-11,12,16,17-tetrahydro-9H-cyclopenta[a]phenanthrene-4-carboxylate

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Overview

Molecular Formula C33H38O12
Molecular Weight 626.60 g/mol
Canonical SMILES CC(C)C(=O)OC1C(C2C3(C=CC(=O)C(C3=C(C(=O)C2(C4=CCC(C14C)C5=CC(OC5=O)O)C)O)(C)C(=O)OC)C)OC(=O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy