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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP013643

(1S,3aR,5S,6S,6aR)-6-bromo-5-[1-[(1R,3R,4S)-3-bromo-4-hydroxy-4-methylcyclohexyl]ethenyl]-1,4,4-trimethyl-2,3,3a,5,6,6a-hexahydropentalen-1-ol

Formula: C20H32Br2O2  |  Mol. Weight: 464.30 g/mol

IUPAC: (1S,3aR,5S,6S,6aR)-6-bromo-5-[1-[(1R,3R,4S)-3-bromo-4-hydroxy-4-methylcyclohexyl]ethenyl]-1,4,4-trimethyl-2,3,3a,5,6,6a-hexahydropentalen-1-ol

Overview

Molecular Formula C20H32Br2O2
Molecular Weight 464.30 g/mol
Canonical SMILES CC1(C2CCC(C2C(C1C(=C)C3CCC(C(C3)Br)(C)O)Br)(C)O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy