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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP039398

6-O-[(2S)-butan-2-yl] 5-O-[(Z)-2-methylbut-1-enyl] (3R,3aS,4R,5S,6S,7aS)-3-[(1S)-1-acetyloxyethyl]-7-methylidene-4-[(2S)-2-methyloxiran-2-yl]-2-oxo-3,3a,4,5,6,7a-hexahydro-1H-indene-5,6-dicarboxylate

Formula: C28H40O8  |  Mol. Weight: 504.60 g/mol

IUPAC: 6-O-[(2S)-butan-2-yl] 5-O-[(Z)-2-methylbut-1-enyl] (3R,3aS,4R,5S,6S,7aS)-3-[(1S)-1-acetyloxyethyl]-7-methylidene-4-[(2S)-2-methyloxiran-2-yl]-2-oxo-3,3a,4,5,6,7a-hexahydro-1H-indene-5,6-dicarboxylate

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Overview

Molecular Formula C28H40O8
Molecular Weight 504.60 g/mol
Canonical SMILES CCC(C)OC(=O)C1C(C(C2C(C1=C)CC(=O)C2C(C)OC(=O)C)C3(CO3)C)C(=O)OC=C(C)CC

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy