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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP024271

3-O-Methylniveusin A

Formula: C21H28O8  |  Mol. Weight: 408.40 g/mol

IUPAC: [(2Z)-12-hydroxy-2-(hydroxymethyl)-1-methoxy-11-methyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradec-2-en-9-yl] (Z)-2-methylbut-2-enoate

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Overview

Molecular Formula C21H28O8
Molecular Weight 408.40 g/mol
Canonical SMILES CC=C(C)C(=O)OC1CC2(C(CC(O2)(C(=CC3C1C(=C)C(=O)O3)CO)OC)O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy