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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP037444

decaspirone E

Formula: C22H18O6  |  Mol. Weight: 378.40 g/mol

IUPAC: [(1S,4R,4aS,8aS)-4-hydroxy-8-oxospiro[1,4,4a,8a-tetrahydronaphthalene-5,3'-2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene]-1-yl] acetate

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Overview

Molecular Formula C22H18O6
Molecular Weight 378.40 g/mol
Canonical SMILES CC(=O)OC1C=CC(C2C1C(=O)C=CC23OC4=CC=CC5=C4C(=CC=C5)O3)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy