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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP023671

4b,5a,14a,17b,20S-Pentahydroxy-3a,6a-oxido-1-oxo-24-ergosten-26,22R-olide

Formula: C28H40O9  |  Mol. Weight: 520.60 g/mol

IUPAC: 7-[1-(4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl)-1-hydroxyethyl]-4,7,16,17-tetrahydroxy-8,12-dimethyl-18-oxapentacyclo[13.2.1.03,11.04,8.012,17]octadecan-13-one

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Overview

Molecular Formula C28H40O9
Molecular Weight 520.60 g/mol
Canonical SMILES CC1=C(C(=O)OC(C1)C(C)(C2(CCC3(C2(CCC4C3CC5C6(C4(C(=O)CC(C6O)O5)C)O)C)O)O)O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy