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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP036151

p-Coumaroyl hexose

Formula: C45H82O2  |  Mol. Weight: 655.10 g/mol

IUPAC: [(3S,9S,10S,13R,14S,17R)-17-[(2R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] hexadecanoate

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Overview

Molecular Formula C45H82O2
Molecular Weight 655.10 g/mol
Canonical SMILES CCCCCCCCCCCCCCCC(=O)OC1CCC2(C(C1)CCC3C2CCC4(C3CCC4C(C)CCC(CC)C(C)C)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy