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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP026131

4-[[(3S,7S,8R,9S,10S,13R,14S,17R)-17-[(2R,4R)-4-(3-carboxypropanoyloxy)-6-methylhept-5-en-2-yl]-7-methoxy-4,4,9,13,14-pentamethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4-oxobutanoic acid

Formula: C39H60O9  |  Mol. Weight: 672.90 g/mol

IUPAC: 4-[[(3S,7S,8R,9S,10S,13R,14S,17R)-17-[(2R,4R)-4-(3-carboxypropanoyloxy)-6-methylhept-5-en-2-yl]-7-methoxy-4,4,9,13,14-pentamethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4-oxobutanoic acid

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Overview

Molecular Formula C39H60O9
Molecular Weight 672.90 g/mol
Canonical SMILES CC(CC(C=C(C)C)OC(=O)CCC(=O)O)C1CCC2(C1(CCC3(C2C(C=C4C3CCC(C4(C)C)OC(=O)CCC(=O)O)OC)C)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy