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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP001383

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

Formula: C38H44O12  |  Mol. Weight: 692.70 g/mol

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

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Overview

Molecular Formula C38H44O12
Molecular Weight 692.70 g/mol
Canonical SMILES CC(=O)OC1C(C(C2C(C(C3(C(C2(C1OC(=O)C4=CC=CC=C4)C)C(CC(C3=O)(C)C=C)OC(=O)C5=CC=CC=C5)O)OC(=O)C)O)(C)C)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy