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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP035880

(1R,4S,5S,8R,9R,12R,13S,16S)-16-hydroxy-5,9,17,17-tetramethyl-8-(4-oxopentan-2-yl)-18-oxapentacyclo[10.5.2.01,13.04,12.05,9]nonadecan-3-one

Formula: C27H42O4  |  Mol. Weight: 430.60 g/mol

IUPAC: (1R,4S,5S,8R,9R,12R,13S,16S)-16-hydroxy-5,9,17,17-tetramethyl-8-(4-oxopentan-2-yl)-18-oxapentacyclo[10.5.2.01,13.04,12.05,9]nonadecan-3-one

Overview

Molecular Formula C27H42O4
Molecular Weight 430.60 g/mol
Canonical SMILES CC(CC(=O)C)C1CCC2(C1(CCC34C2C(=O)CC5(C3CCC(C5(C)C)O)OC4)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy