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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP019467

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

Formula: C40H56O4  |  Mol. Weight: 600.90 g/mol

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

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Overview

Molecular Formula C40H56O4
Molecular Weight 600.90 g/mol
Canonical SMILES CC(C)C1=C(C=C2C(=C1)C(CC3C2(CCCC3(C)C)C)OOC4=C(C=C5C(=O)CC6C(CCCC6(C5=C4)C)(C)C)C(C)C)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy