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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP003157

[(1R,2R,3R,4S,6S,9S,10S,11S,13S,14R)-3-acetyloxy-14-[2-[(1R,2R,4S,6S,9S,10S,11S,13S,14S)-2,6-diacetyloxy-11,14-dihydroxy-5,5,9-trimethyl-3,15-dioxo-14-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]ethyl]-2,11-dihydroxy-5,5,9-trimethyl-15-oxo-6-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate

Formula: C48H68O15  |  Mol. Weight: 885.00 g/mol

IUPAC: [(1R,2R,3R,4S,6S,9S,10S,11S,13S,14R)-3-acetyloxy-14-[2-[(1R,2R,4S,6S,9S,10S,11S,13S,14S)-2,6-diacetyloxy-11,14-dihydroxy-5,5,9-trimethyl-3,15-dioxo-14-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]ethyl]-2,11-dihydroxy-5,5,9-trimethyl-15-oxo-6-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate

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Overview

Molecular Formula C48H68O15
Molecular Weight 885.00 g/mol
Canonical SMILES CC(=O)OC1CCC2(C3C(CC4CC3(C(C(C2C1(C)C)OC(=O)C)O)C(=O)C4CCC5(C6CC(C7C8(CCC(C(C8C(=O)C(C7(C6)C5=O)OC(=O)C)(C)C)OC(=O)C)C)O)O)O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy