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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP038739

[(3S,10R,13R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] docosa-4,7,10,13,16,19-hexaenoate

Formula: C49H76O2  |  Mol. Weight: 697.10 g/mol

IUPAC: [(3S,10R,13R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] docosa-4,7,10,13,16,19-hexaenoate

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Overview

Molecular Formula C49H76O2
Molecular Weight 697.10 g/mol
Canonical SMILES CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCCC(C)C)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy