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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP019459

[(1R,4S,8S,13R,14S,17R,22R)-4,9,9,14,17,20,20-heptamethyl-23-oxo-24-oxahexacyclo[11.9.2.01,14.04,13.05,10.017,22]tetracosa-5(10),11-dien-8-yl] benzoate

Formula: C37H48O4  |  Mol. Weight: 556.80 g/mol

IUPAC: [(1R,4S,8S,13R,14S,17R,22R)-4,9,9,14,17,20,20-heptamethyl-23-oxo-24-oxahexacyclo[11.9.2.01,14.04,13.05,10.017,22]tetracosa-5(10),11-dien-8-yl] benzoate

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Overview

Molecular Formula C37H48O4
Molecular Weight 556.80 g/mol
Canonical SMILES CC1(CCC2(CCC3(C4(C2C1)CCC5(C3(C=CC6=C5CCC(C6(C)C)OC(=O)C7=CC=CC=C7)OC4=O)C)C)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy