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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP020827

Andirobin

Formula: C27H32O7  |  Mol. Weight: 468.50 g/mol

IUPAC: methyl 2-[(1R,2R)-2-[(1aS,4S,4aS,7R,8aS)-4-(furan-3-yl)-4a-methyl-8-methylidene-2-oxo-4,5,6,7-tetrahydro-1aH-oxireno[2,3-d]isochromen-7-yl]-2,6,6-trimethyl-5-oxocyclohex-3-en-1-yl]acetate

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Overview

Molecular Formula C27H32O7
Molecular Weight 468.50 g/mol
Canonical SMILES CC1(C(C(C=CC1=O)(C)C2CCC3(C(OC(=O)C4C3(C2=C)O4)C5=COC=C5)C)CC(=O)OC)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy