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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP013817

(3S,3aS,5S,6S)-3-[(1R,3R,4S)-3-bromo-4-hydroxy-4-methylcyclohexyl]-1,3,6-trimethyl-2,3a,4,5,7,8-hexahydroazulene-5,6-diol

Formula: C20H33BrO3  |  Mol. Weight: 401.40 g/mol

IUPAC: (3S,3aS,5S,6S)-3-[(1R,3R,4S)-3-bromo-4-hydroxy-4-methylcyclohexyl]-1,3,6-trimethyl-2,3a,4,5,7,8-hexahydroazulene-5,6-diol

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Overview

Molecular Formula C20H33BrO3
Molecular Weight 401.40 g/mol
Canonical SMILES CC1=C2CCC(C(CC2C(C1)(C)C3CCC(C(C3)Br)(C)O)O)(C)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy