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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP012542

(1S,7aS,11aS)-1,5-dihydroxy-8,8,11a-trimethyl-4-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-6,7,7a,9,10,11-hexahydro-1H-naphtho[1,2-e][2]benzofuran-3-one

Formula: C26H36O10  |  Mol. Weight: 508.60 g/mol

IUPAC: (1S,7aS,11aS)-1,5-dihydroxy-8,8,11a-trimethyl-4-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-6,7,7a,9,10,11-hexahydro-1H-naphtho[1,2-e][2]benzofuran-3-one

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Overview

Molecular Formula C26H36O10
Molecular Weight 508.60 g/mol
Canonical SMILES CC1(CCCC2(C1CCC3=C2C4=C(C(=C3O)COC5C(C(C(C(O5)CO)O)O)O)C(=O)OC4O)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy