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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP022955

(1aS,1bS,3R,3aR,5S,7bR,9R,9aR)-5-[(1R)-1-bromo-2-hydroxyethyl]-1a-(hydroxymethyl)-5,7b-dimethyl-1,1b,2,3,3a,4,6,8,9,9a-decahydrocyclopropa[a]phenanthrene-3,9-diol

Formula: C20H31BrO4  |  Mol. Weight: 415.40 g/mol

IUPAC: (1aS,1bS,3R,3aR,5S,7bR,9R,9aR)-5-[(1R)-1-bromo-2-hydroxyethyl]-1a-(hydroxymethyl)-5,7b-dimethyl-1,1b,2,3,3a,4,6,8,9,9a-decahydrocyclopropa[a]phenanthrene-3,9-diol

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Overview

Molecular Formula C20H31BrO4
Molecular Weight 415.40 g/mol
Canonical SMILES CC1(CC=C2C(C1)C(CC3C2(CC(C4C3(C4)CO)O)C)O)C(CO)Br

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy