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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP020154

[(1R,3R,6S,8R,11R,12S,13R,14R,15R,16R,17R)-13-acetyloxy-6,17-dihydroxy-15-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-14-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] acetate

Formula: C34H54O8  |  Mol. Weight: 590.80 g/mol

IUPAC: [(1R,3R,6S,8R,11R,12S,13R,14R,15R,16R,17R)-13-acetyloxy-6,17-dihydroxy-15-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-14-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] acetate

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Overview

Molecular Formula C34H54O8
Molecular Weight 590.80 g/mol
Canonical SMILES CC(=O)OC1C(C2(C(CC34CC35CCC(C(C5CCC4C2(C1OC(=O)C)C)(C)C)O)O)C)C6(CCC(O6)C(C)(C)O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy