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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP019593

Agrostophyllinone

Formula: C31H50O  |  Mol. Weight: 438.70 g/mol

IUPAC: (5R,8S,10S,13R,14S,17R)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-1,2,5,6,7,8,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one

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Overview

Molecular Formula C31H50O
Molecular Weight 438.70 g/mol
Canonical SMILES CC(C)C(=C)CCC(C)C1CCC2(C1(CC=C3C2CCC4C3(CCC(=O)C4(C)C)C)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy