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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP031418

(4aS,10aS)-5-hydroxy-7-(2-hydroxypropyl)-2,4a-dimethyl-1-methylidene-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-10,10a-dihydro-4H-phenanthren-9-one

Formula: C26H34O9  |  Mol. Weight: 490.50 g/mol

IUPAC: (4aS,10aS)-5-hydroxy-7-(2-hydroxypropyl)-2,4a-dimethyl-1-methylidene-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-10,10a-dihydro-4H-phenanthren-9-one

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Overview

Molecular Formula C26H34O9
Molecular Weight 490.50 g/mol
Canonical SMILES CC1=CCC2(C(C1=C)CC(=O)C3=C2C(=C(C(=C3)CC(C)O)OC4C(C(C(C(O4)CO)O)O)O)O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy