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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP018992

[(2S,3S,4R,5S,6S)-3,4,5-triacetyloxy-6-[[(3S,10R,13R)-17-[(2R)-5-ethyl-6-methylheptan-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]oxan-2-yl]methyl hexadecanoate

Formula: C57H96O10  |  Mol. Weight: 941.40 g/mol

IUPAC: [(2S,3S,4R,5S,6S)-3,4,5-triacetyloxy-6-[[(3S,10R,13R)-17-[(2R)-5-ethyl-6-methylheptan-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]oxan-2-yl]methyl hexadecanoate

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Overview

Molecular Formula C57H96O10
Molecular Weight 941.40 g/mol
Canonical SMILES CCCCCCCCCCCCCCCC(=O)OCC1C(C(C(C(O1)OC2CCC3(C4CCC5(C(C4CC=C3C2)CCC5C(C)CCC(CC)C(C)C)C)C)OC(=O)C)OC(=O)C)OC(=O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy