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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP019655

[(1R)-1-[(3S,8R,9S,10R,11S,12S,13S,14S,17S)-3,11,12,14-tetrahydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]ethyl] (E)-2-methylbut-2-enoate

Formula: C26H40O6  |  Mol. Weight: 448.60 g/mol

IUPAC: [(1R)-1-[(3S,8R,9S,10R,11S,12S,13S,14S,17S)-3,11,12,14-tetrahydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]ethyl] (E)-2-methylbut-2-enoate

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Overview

Molecular Formula C26H40O6
Molecular Weight 448.60 g/mol
Canonical SMILES CC=C(C)C(=O)OC(C)C1CCC2(C1(C(C(C3C2CC=C4C3(CCC(C4)O)C)O)O)C)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy