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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP025435

[(2R,3R,4R,5R,6R)-6-[[(1R,4R,5R,6R,8R,10R,11R,12R,16R,18S,21R)-8-[(1R)-1-acetyloxy-2-hydroxy-2-methylpropyl]-10,11-dihydroxy-4,6,12,17,17-pentamethyl-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docos-13-en-18-yl]oxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl] acetate

Formula: C40H62O13  |  Mol. Weight: 750.90 g/mol

IUPAC: [(2R,3R,4R,5R,6R)-6-[[(1R,4R,5R,6R,8R,10R,11R,12R,16R,18S,21R)-8-[(1R)-1-acetyloxy-2-hydroxy-2-methylpropyl]-10,11-dihydroxy-4,6,12,17,17-pentamethyl-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docos-13-en-18-yl]oxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl] acetate

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Overview

Molecular Formula C40H62O13
Molecular Weight 750.90 g/mol
Canonical SMILES CC1CC(OC2(C1C3(CCC45CC46CCC(C(C6CC=C5C3(C2O)C)(C)C)OC7C(C(C(C(O7)CO)OC(=O)C)O)O)C)O)C(C(C)(C)O)OC(=O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy