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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP009060

[(1R,2R,3R,4S,6S,9S,10S,11S,13S,14R)-14-[2-[(1R,2R,3R,4S,6S,9S,10S,11S,13R,14S)-3-acetyloxy-2,6-dihydroxy-5,5,9-trimethyl-16-oxo-12-oxapentacyclo[11.2.1.111,14.01,10.04,9]heptadecan-13-yl]ethyl]-2,6,11-trihydroxy-5,5,9-trimethyl-15-oxo-3-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate

Formula: C44H64O12  |  Mol. Weight: 785.00 g/mol

IUPAC: [(1R,2R,3R,4S,6S,9S,10S,11S,13S,14R)-14-[2-[(1R,2R,3R,4S,6S,9S,10S,11S,13R,14S)-3-acetyloxy-2,6-dihydroxy-5,5,9-trimethyl-16-oxo-12-oxapentacyclo[11.2.1.111,14.01,10.04,9]heptadecan-13-yl]ethyl]-2,6,11-trihydroxy-5,5,9-trimethyl-15-oxo-3-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate

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Overview

Molecular Formula C44H64O12
Molecular Weight 785.00 g/mol
Canonical SMILES CC(=O)OC1C2C(C(CCC2(C3C(CC4CC3(C1O)C(=O)C4CCC56C7CC(O5)C8C9(CCC(C(C9C(C(C8(C7)C6=O)O)OC(=O)C)(C)C)O)C)O)C)O)(C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy