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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP000494

methyl 2-[(3aS,4R,5S,6S)-4-hydroxy-3-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)acetyl]oxy-8-methyl-1-oxo-4,5,6,7-tetrahydro-3aH-azulen-5-yl]prop-2-enoate

Formula: C24H26O8  |  Mol. Weight: 442.50 g/mol

IUPAC: methyl 2-[(3aS,4R,5S,6S)-4-hydroxy-3-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)acetyl]oxy-8-methyl-1-oxo-4,5,6,7-tetrahydro-3aH-azulen-5-yl]prop-2-enoate

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Overview

Molecular Formula C24H26O8
Molecular Weight 442.50 g/mol
Canonical SMILES CC1=C2C(C(C(C(C1)OC(=O)CC3=CC=C(C=C3)O)C(=C)C(=O)OC)O)C(=CC2=O)CO

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy