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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP014498

[(1R,4S,5S,8R,9R,10S,13S,14R,16R,17S,22R)-4,9,10,14,17,20,20-heptamethyl-23-oxo-24-oxahexacyclo[14.6.2.01,14.04,13.05,10.017,22]tetracosan-8-yl] benzoate

Formula: C37H52O4  |  Mol. Weight: 560.80 g/mol

IUPAC: [(1R,4S,5S,8R,9R,10S,13S,14R,16R,17S,22R)-4,9,10,14,17,20,20-heptamethyl-23-oxo-24-oxahexacyclo[14.6.2.01,14.04,13.05,10.017,22]tetracosan-8-yl] benzoate

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Overview

Molecular Formula C37H52O4
Molecular Weight 560.80 g/mol
Canonical SMILES CC1C(CCC2C1(CCC3C2(CCC45C3(CC(C6(C4CC(CC6)(C)C)C)OC5=O)C)C)C)OC(=O)C7=CC=CC=C7

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy