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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP023885

Withaperuvin H

Formula: C30H42O9S  |  Mol. Weight: 578.70 g/mol

IUPAC: 6-[1-(4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl)-1-hydroxyethyl]-6,9,15,21-tetrahydroxy-1,5-dimethyl-16-oxa-13-thiapentacyclo[10.8.1.02,10.05,9.017,21]henicos-18-en-20-one

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Overview

Molecular Formula C30H42O9S
Molecular Weight 578.70 g/mol
Canonical SMILES CC1=C(C(=O)OC(C1)C(C)(C2(CCC3(C2(CCC4C3CC5C6(C4(C(=O)C=CC6OC(CS5)O)C)O)C)O)O)O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy