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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP031373

3-[[(3S,7S,8S,9R,10R,13R,14S,17R)-9-formyl-7-methoxy-17-[(2R,4S)-4-methoxy-6-methylhept-5-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]oxy]-3-oxopropanoic acid

Formula: C35H54O7  |  Mol. Weight: 586.80 g/mol

IUPAC: 3-[[(3S,7S,8S,9R,10R,13R,14S,17R)-9-formyl-7-methoxy-17-[(2R,4S)-4-methoxy-6-methylhept-5-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]oxy]-3-oxopropanoic acid

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Overview

Molecular Formula C35H54O7
Molecular Weight 586.80 g/mol
Canonical SMILES CC(CC(C=C(C)C)OC)C1CCC2(C1(CCC3(C2C(C=C4C3CCC(C4(C)C)OC(=O)CC(=O)O)OC)C=O)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy