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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP011015

orthosiphonone A

Formula: C38H42O11  |  Mol. Weight: 674.70 g/mol

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

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Overview

Molecular Formula C38H42O11
Molecular Weight 674.70 g/mol
Canonical SMILES CC(=O)OC1CC2C(C(C(C(C2(C3C1(C(=O)C(CC3=O)(C)C=C)O)C)OC(=O)C4=CC=CC=C4)OC(=O)C)OC(=O)C5=CC=CC=C5)(C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy