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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP016825

[(4aS,9R,10aS)-6-hydroxy-1,1,4a-trimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-9-yl] (1R,4aR,4bR,7R,10aR)-7-ethenyl-1,4a,7-trimethyl-9-oxo-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboperoxoate

Formula: C40H56O5  |  Mol. Weight: 616.90 g/mol

IUPAC: [(4aS,9R,10aS)-6-hydroxy-1,1,4a-trimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-9-yl] (1R,4aR,4bR,7R,10aR)-7-ethenyl-1,4a,7-trimethyl-9-oxo-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboperoxoate

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Overview

Molecular Formula C40H56O5
Molecular Weight 616.90 g/mol
Canonical SMILES CC(C)C1=C(C=C2C(=C1)C(CC3C2(CCCC3(C)C)C)OOC(=O)C4(CCCC5(C4CC(=O)C6=CC(CCC65)(C)C=C)C)C)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy