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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP007916

(3S,3aR,4aR,6S,8aR,9aR)-3,8a-dimethyl-5-methylidene-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f][1]benzofuran-2-one

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

IUPAC: (3S,3aR,4aR,6S,8aR,9aR)-3,8a-dimethyl-5-methylidene-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f][1]benzofuran-2-one

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Overview

Molecular Formula C21H32O8
Molecular Weight 412.50 g/mol
Canonical SMILES CC1C2CC3C(=C)C(CCC3(CC2OC1=O)C)OC4C(C(C(C(O4)CO)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy