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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP003052

[(1S,3R,6S,8R,11R,12S,13R,14R,15R,16S)-13-acetyloxy-14-hydroxy-15-[(2S,5R)-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-16-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]methyl acetate

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

IUPAC: [(1S,3R,6S,8R,11R,12S,13R,14R,15R,16S)-13-acetyloxy-14-hydroxy-15-[(2S,5R)-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-16-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]methyl acetate

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Overview

Molecular Formula C39H62O12
Molecular Weight 722.90 g/mol
Canonical SMILES CC(=O)OCC12CCC34CC35CCC(C(C5CCC4C1(C(C(C2C6(CCC(O6)C(C)(C)O)C)O)OC(=O)C)C)(C)C)OC7C(C(C(CO7)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy