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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP003784

[(1S,3R,8S,9S,10R,13S,14S,17S)-17-[(2R,3R)-2,3-dihydroxy-4-[(3R,4S)-4-hydroxy-4-methyl-5-oxooxolan-3-yl]butan-2-yl]-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-1-yl] acetate

Formula: C30H46O8  |  Mol. Weight: 534.70 g/mol

IUPAC: [(1S,3R,8S,9S,10R,13S,14S,17S)-17-[(2R,3R)-2,3-dihydroxy-4-[(3R,4S)-4-hydroxy-4-methyl-5-oxooxolan-3-yl]butan-2-yl]-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-1-yl] acetate

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Overview

Molecular Formula C30H46O8
Molecular Weight 534.70 g/mol
Canonical SMILES CC(=O)OC1CC(CC2=CCC3C4CCC(C4(CCC3C12C)C)C(C)(C(CC5COC(=O)C5(C)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy