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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP037601

[4-[(Z)-3-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3-oxoprop-1-enyl]phenyl] octadecanoate

Formula: C56H88O4  |  Mol. Weight: 825.30 g/mol

IUPAC: [4-[(Z)-3-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3-oxoprop-1-enyl]phenyl] octadecanoate

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Overview

Molecular Formula C56H88O4
Molecular Weight 825.30 g/mol
Canonical SMILES CCCCCCCCCCCCCCCCCC(=O)OC1=CC=C(C=C1)C=CC(=O)OC2CCC3(C4CCC5(C(C4CC=C3C2)CCC5C(C)C=CC(CC)C(C)C)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy