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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP004551

2-[(2R,4aR,8R,8aR)-6-acetyloxy-4a-hydroperoxy-8,8a-dimethyl-7-oxo-2,3,4,8-tetrahydro-1H-naphthalen-2-yl]prop-2-enoic acid

Formula: C17H22O7  |  Mol. Weight: 338.40 g/mol

IUPAC: 2-[(2R,4aR,8R,8aR)-6-acetyloxy-4a-hydroperoxy-8,8a-dimethyl-7-oxo-2,3,4,8-tetrahydro-1H-naphthalen-2-yl]prop-2-enoic acid

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Overview

Molecular Formula C17H22O7
Molecular Weight 338.40 g/mol
Canonical SMILES CC1C(=O)C(=CC2(C1(CC(CC2)C(=C)C(=O)O)C)OO)OC(=O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy