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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP009573

(3S,3aR,4S,6S,7R,7aR)-6-ethenyl-4-hydroxy-3,6-dimethyl-7-[(E)-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyprop-1-en-2-yl]-3,3a,4,5,7,7a-hexahydro-1-benzofuran-2-one

Formula: C21H32O9  |  Mol. Weight: 428.50 g/mol

IUPAC: (3S,3aR,4S,6S,7R,7aR)-6-ethenyl-4-hydroxy-3,6-dimethyl-7-[(E)-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyprop-1-en-2-yl]-3,3a,4,5,7,7a-hexahydro-1-benzofuran-2-one

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Overview

Molecular Formula C21H32O9
Molecular Weight 428.50 g/mol
Canonical SMILES CC1C2C(CC(C(C2OC1=O)C(=COC3C(C(C(C(O3)CO)O)O)O)C)(C)C=C)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy