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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP031298

(1S,2R,4aR,7R,8aS)-1-[2-acetyloxy-2-(furan-3-yl)ethyl]-2,7-dihydroxy-5-methoxycarbonyl-1,4a-dimethyl-8,8a-dihydro-7H-naphthalene-2-carboxylic acid

Formula: C23H28O9  |  Mol. Weight: 448.50 g/mol

IUPAC: (1S,2R,4aR,7R,8aS)-1-[2-acetyloxy-2-(furan-3-yl)ethyl]-2,7-dihydroxy-5-methoxycarbonyl-1,4a-dimethyl-8,8a-dihydro-7H-naphthalene-2-carboxylic acid

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Overview

Molecular Formula C23H28O9
Molecular Weight 448.50 g/mol
Canonical SMILES CC(=O)OC(CC1(C2CC(C=C(C2(C=CC1(C(=O)O)O)C)C(=O)OC)O)C)C3=COC=C3

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy