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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP014185

[(1S,3R,6S,8R,11R,12S,13R,14R,15R,16S)-13-acetyloxy-16-(hydroxymethyl)-15-[(2S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12-trimethyl-6-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-14-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] acetate

Formula: C39H62O12  |  Mol. Weight: 722.90 g/mol

IUPAC: [(1S,3R,6S,8R,11R,12S,13R,14R,15R,16S)-13-acetyloxy-16-(hydroxymethyl)-15-[(2S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12-trimethyl-6-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-14-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] acetate

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Overview

Molecular Formula C39H62O12
Molecular Weight 722.90 g/mol
Canonical SMILES CC(=O)OC1C(C2(CCC34CC35CCC(C(C5CCC4C2(C1OC(=O)C)C)(C)C)OC6C(C(C(CO6)O)O)O)CO)C7(CCC(O7)C(C)(C)O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy