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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP002280

[(2S,3S,4R,4aS,4bR,7R,8aR,9R,10aS)-3-acetyloxy-7-ethenyl-2,8a,9-trihydroxy-1,1,4a,7-tetramethyl-5,8-dioxo-2,3,4,4b,6,9,10,10a-octahydrophenanthren-4-yl] benzoate

Formula: C29H36O9  |  Mol. Weight: 528.60 g/mol

IUPAC: [(2S,3S,4R,4aS,4bR,7R,8aR,9R,10aS)-3-acetyloxy-7-ethenyl-2,8a,9-trihydroxy-1,1,4a,7-tetramethyl-5,8-dioxo-2,3,4,4b,6,9,10,10a-octahydrophenanthren-4-yl] benzoate

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Overview

Molecular Formula C29H36O9
Molecular Weight 528.60 g/mol
Canonical SMILES CC(=O)OC1C(C(C2CC(C3(C(C2(C1OC(=O)C4=CC=CC=C4)C)C(=O)CC(C3=O)(C)C=C)O)O)(C)C)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy