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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP011308

Secasterone

Formula: C28H46O4  |  Mol. Weight: 446.70 g/mol

IUPAC: (1S,2R,4S,6R,8S,11S,12S,15R,16S)-15-[(2S,3R,4R,5S)-3,4-dihydroxy-5,6-dimethylheptan-2-yl]-2,16-dimethyl-5-oxapentacyclo[9.7.0.02,8.04,6.012,16]octadecan-9-one

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Overview

Molecular Formula C28H46O4
Molecular Weight 446.70 g/mol
Canonical SMILES CC(C)C(C)C(C(C(C)C1CCC2C1(CCC3C2CC(=O)C4C3(CC5C(C4)O5)C)C)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy