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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP019468

(4aR)-6-[[(4aS,9S,10aS)-6-hydroxy-1,1,4a-trimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-9-yl]peroxy]-10-hydroxy-1,1,4a-trimethyl-7-propan-2-yl-3,4-dihydro-2H-phenanthren-9-one

Formula: C40H54O5  |  Mol. Weight: 614.90 g/mol

IUPAC: (4aR)-6-[[(4aS,9S,10aS)-6-hydroxy-1,1,4a-trimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-9-yl]peroxy]-10-hydroxy-1,1,4a-trimethyl-7-propan-2-yl-3,4-dihydro-2H-phenanthren-9-one

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Overview

Molecular Formula C40H54O5
Molecular Weight 614.90 g/mol
Canonical SMILES CC(C)C1=C(C=C2C(=C1)C(CC3C2(CCCC3(C)C)C)OOC4=C(C=C5C(=C4)C6(CCCC(C6=C(C5=O)O)(C)C)C)C(C)C)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy