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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP006486

(1R,4S,5R,8R)-4-(methoxymethyl)-5-methyl-8-[(5R,6R,8S,9S,10R,12R,13S,14S,17R)-5,6,12-trihydroxy-10,13-dimethyl-1-oxo-6,7,8,9,11,12,14,15,16,17-decahydro-4H-cyclopenta[a]phenanthren-17-yl]-2,6-dioxabicyclo[3.3.1]nonan-3-one

Formula: C29H42O8  |  Mol. Weight: 518.60 g/mol

IUPAC: (1R,4S,5R,8R)-4-(methoxymethyl)-5-methyl-8-[(5R,6R,8S,9S,10R,12R,13S,14S,17R)-5,6,12-trihydroxy-10,13-dimethyl-1-oxo-6,7,8,9,11,12,14,15,16,17-decahydro-4H-cyclopenta[a]phenanthren-17-yl]-2,6-dioxabicyclo[3.3.1]nonan-3-one

Overview

Molecular Formula C29H42O8
Molecular Weight 518.60 g/mol
Canonical SMILES CC12CC(C(CO1)C3CCC4C3(C(CC5C4CC(C6(C5(C(=O)C=CC6)C)O)O)O)C)OC(=O)C2COC

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy