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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP019431

Caesalmin B

Formula: C22H28O6  |  Mol. Weight: 388.50 g/mol

IUPAC: [(1S,8S,11S,13R,17S,18S,19R)-13-hydroxy-14,14,18-trimethyl-9-oxo-4,10-dioxapentacyclo[9.7.1.03,7.08,19.013,18]nonadeca-3(7),5-dien-17-yl] acetate

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Overview

Molecular Formula C22H28O6
Molecular Weight 388.50 g/mol
Canonical SMILES CC(=O)OC1CCC(C2(C1(C3CC4=C(C=CO4)C5C3C(C2)OC5=O)C)O)(C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy