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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP012398

(1S,4R,6S)-1,6-dimethyl-4-[(1S)-1-[(5R,6S,7R,8S,9S,10R,12S,13R,14S,17R)-5,6,7,12-tetrahydroxy-10,13-dimethyl-1-oxo-6,7,8,9,11,12,14,15,16,17-decahydro-4H-cyclopenta[a]phenanthren-17-yl]ethyl]-3,7-dioxabicyclo[4.1.0]heptan-2-one

Formula: C28H40O8  |  Mol. Weight: 504.60 g/mol

IUPAC: (1S,4R,6S)-1,6-dimethyl-4-[(1S)-1-[(5R,6S,7R,8S,9S,10R,12S,13R,14S,17R)-5,6,7,12-tetrahydroxy-10,13-dimethyl-1-oxo-6,7,8,9,11,12,14,15,16,17-decahydro-4H-cyclopenta[a]phenanthren-17-yl]ethyl]-3,7-dioxabicyclo[4.1.0]heptan-2-one

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Overview

Molecular Formula C28H40O8
Molecular Weight 504.60 g/mol
Canonical SMILES CC(C1CCC2C1(C(CC3C2C(C(C4(C3(C(=O)C=CC4)C)O)O)O)O)C)C5CC6(C(O6)(C(=O)O5)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy