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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP035344

[(3S,7S,8S,9R,10R,13R,14S,17R)-9-formyl-7-hydroxy-17-[(E,2R)-6-hydroxy-6-methylhept-4-en-2-yl]-4,4,13,14-tetramethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] (E)-but-2-enoate

Formula: C34H52O5  |  Mol. Weight: 540.80 g/mol

IUPAC: [(3S,7S,8S,9R,10R,13R,14S,17R)-9-formyl-7-hydroxy-17-[(E,2R)-6-hydroxy-6-methylhept-4-en-2-yl]-4,4,13,14-tetramethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] (E)-but-2-enoate

Overview

Molecular Formula C34H52O5
Molecular Weight 540.80 g/mol
Canonical SMILES CC=CC(=O)OC1CCC2C(=CC(C3C2(CCC4(C3(CCC4C(C)CC=CC(C)(C)O)C)C)C=O)O)C1(C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy