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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP034801

[(4S,4aR,4bR,6S,7S,8aR,9S,10aS)-6,9-diacetyloxy-7-ethenyl-4,8a-dihydroxy-1,1,7-trimethyl-10-oxo-3,4,4b,5,6,8,9,10a-octahydro-2H-phenanthren-4a-yl]methyl acetate

Formula: C26H38O9  |  Mol. Weight: 494.60 g/mol

IUPAC: [(4S,4aR,4bR,6S,7S,8aR,9S,10aS)-6,9-diacetyloxy-7-ethenyl-4,8a-dihydroxy-1,1,7-trimethyl-10-oxo-3,4,4b,5,6,8,9,10a-octahydro-2H-phenanthren-4a-yl]methyl acetate

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Overview

Molecular Formula C26H38O9
Molecular Weight 494.60 g/mol
Canonical SMILES CC(=O)OCC12C(CCC(C1C(=O)C(C3(C2CC(C(C3)(C)C=C)OC(=O)C)O)OC(=O)C)(C)C)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy