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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP020171

(3S,3aS,5aR,6R,9aS,9bS)-3,5a,9-trimethyl-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,3a,4,5,6,7,9a,9b-octahydrobenzo[g][1]benzofuran-2-one

Formula: C21H32O8  |  Mol. Weight: 412.50 g/mol

IUPAC: (3S,3aS,5aR,6R,9aS,9bS)-3,5a,9-trimethyl-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,3a,4,5,6,7,9a,9b-octahydrobenzo[g][1]benzofuran-2-one

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Overview

Molecular Formula C21H32O8
Molecular Weight 412.50 g/mol
Canonical SMILES CC1C2CCC3(C(CC=C(C3C2OC1=O)C)OC4C(C(C(C(O4)CO)O)O)O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy