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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP014101

Isostegane

Formula: C22H22O7  |  Mol. Weight: 398.40 g/mol

IUPAC: (9R,13R)-3,4,5-trimethoxy-11,18,20-trioxapentacyclo[13.7.0.02,7.09,13.017,21]docosa-1(22),2,4,6,15,17(21)-hexaen-10-one

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Overview

Molecular Formula C22H22O7
Molecular Weight 398.40 g/mol
Canonical SMILES COC1=C(C(=C2C(=C1)CC3C(CC4=CC5=C(C=C42)OCO5)COC3=O)OC)OC

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy