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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP031808

Acetoxydehdroaustin

Formula: C29H32O11  |  Mol. Weight: 556.60 g/mol

IUPAC: [(1R,2R,3S,5S,7S,8S,9R,12S,13S)-8-acetyloxy-2,2',2',9,13-pentamethyl-6,16-dimethylidene-6',11,15-trioxospiro[10,14,17-trioxapentacyclo[7.6.1.17,12.01,12.02,7]heptadecane-5,3'-pyran]-3-yl] acetate

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Overview

Molecular Formula C29H32O11
Molecular Weight 556.60 g/mol
Canonical SMILES CC1C23C(=O)OC4(C(C5(O2)C(=C)C6(CC(C5(C3(C4=C)C(=O)O1)C)OC(=O)C)C=CC(=O)OC6(C)C)OC(=O)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy