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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP013879

3-O-Acetyl-20-hydroxyecdysone

Formula: C29H46O8  |  Mol. Weight: 522.70 g/mol

IUPAC: [(2S,3R,5R,9R,10R,13R,14S,17S)-2,14-dihydroxy-10,13-dimethyl-6-oxo-17-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

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Overview

Molecular Formula C29H46O8
Molecular Weight 522.70 g/mol
Canonical SMILES CC(=O)OC1CC2C(=O)C=C3C(C2(CC1O)C)CCC4(C3(CCC4C(C)(C(CCC(C)(C)O)O)O)O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy