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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP033333

[(1S,3R,5S,7R,8R,9R,10R,13S,17S)-1,7-diacetyloxy-17-[(5R,6S)-5,6-dihydroxy-7,7-dimethyloxepan-3-yl]-4,4,8,10,13-pentamethyl-2,3,5,6,7,9,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] benzoate

Formula: C41H58O9  |  Mol. Weight: 694.90 g/mol

IUPAC: [(1S,3R,5S,7R,8R,9R,10R,13S,17S)-1,7-diacetyloxy-17-[(5R,6S)-5,6-dihydroxy-7,7-dimethyloxepan-3-yl]-4,4,8,10,13-pentamethyl-2,3,5,6,7,9,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] benzoate

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Overview

Molecular Formula C41H58O9
Molecular Weight 694.90 g/mol
Canonical SMILES CC(=O)OC1CC2C(C(CC(C2(C3C1(C4=CCC(C4(CC3)C)C5CC(C(C(OC5)(C)C)O)O)C)C)OC(=O)C)OC(=O)C6=CC=CC=C6)(C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy