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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP012286

[3-[2-[(1R,2S,4aR,4bS,8aS,10aR)-2-(acetyloxymethyl)-2-hydroxy-4b,8,8,10a-tetramethyl-1,3,4,4a,5,6,7,8a,9,10-decahydrophenanthren-1-yl]-1-hydroxyethyl]-5-oxo-2H-furan-2-yl] (E)-3-phenylprop-2-enoate

Formula: C36H48O8  |  Mol. Weight: 608.80 g/mol

IUPAC: [3-[2-[(1R,2S,4aR,4bS,8aS,10aR)-2-(acetyloxymethyl)-2-hydroxy-4b,8,8,10a-tetramethyl-1,3,4,4a,5,6,7,8a,9,10-decahydrophenanthren-1-yl]-1-hydroxyethyl]-5-oxo-2H-furan-2-yl] (E)-3-phenylprop-2-enoate

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Overview

Molecular Formula C36H48O8
Molecular Weight 608.80 g/mol
Canonical SMILES CC(=O)OCC1(CCC2C3(CCCC(C3CCC2(C1CC(C4=CC(=O)OC4OC(=O)C=CC5=CC=CC=C5)O)C)(C)C)C)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy