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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP030470

[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[[(2S,8S,9R,10R,13R,14S,16R,17R)-16-acetyloxy-17-[(2R)-2-hydroxy-3-oxobutan-2-yl]-4,4,9,13,14-pentamethyl-3,11-dioxo-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-2-yl]oxy]oxan-2-yl]methyl acetate

Formula: C42H58O16  |  Mol. Weight: 818.90 g/mol

IUPAC: [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[[(2S,8S,9R,10R,13R,14S,16R,17R)-16-acetyloxy-17-[(2R)-2-hydroxy-3-oxobutan-2-yl]-4,4,9,13,14-pentamethyl-3,11-dioxo-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-2-yl]oxy]oxan-2-yl]methyl acetate

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Overview

Molecular Formula C42H58O16
Molecular Weight 818.90 g/mol
Canonical SMILES CC(=O)C(C)(C1C(CC2(C1(CC(=O)C3(C2CC=C4C3CC(C(=O)C4(C)C)OC5C(C(C(C(O5)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C)C)C)OC(=O)C)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy