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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP000268

orthosiphol O

Formula: C38H44O11  |  Mol. Weight: 676.70 g/mol

IUPAC: [(2S,3S,4R,4aS,4bS,5R,7R,8aR,9R,10aS)-3,9-diacetyloxy-4-benzoyloxy-7-ethenyl-5,8a-dihydroxy-1,1,4a,7-tetramethyl-8-oxo-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthren-2-yl] benzoate

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Overview

Molecular Formula C38H44O11
Molecular Weight 676.70 g/mol
Canonical SMILES CC(=O)OC1CC2C(C(C(C(C2(C3C1(C(=O)C(CC3O)(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