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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP004283

[(1S,2S,4S,7R,9R,13R,14S,15R,16S,17R)-4,15-diacetyloxy-14-hydroxy-2,14,17-trimethyl-3,11-dioxo-10-oxatetracyclo[7.7.1.02,7.013,17]heptadecan-16-yl] 1,3-benzodioxole-5-carboxylate

Formula: C31H36O12  |  Mol. Weight: 600.60 g/mol

IUPAC: [(1S,2S,4S,7R,9R,13R,14S,15R,16S,17R)-4,15-diacetyloxy-14-hydroxy-2,14,17-trimethyl-3,11-dioxo-10-oxatetracyclo[7.7.1.02,7.013,17]heptadecan-16-yl] 1,3-benzodioxole-5-carboxylate

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Overview

Molecular Formula C31H36O12
Molecular Weight 600.60 g/mol
Canonical SMILES CC(=O)OC1CCC2CC3C4(C(CC(=O)O3)C(C(C(C4C2(C1=O)C)OC(=O)C5=CC6=C(C=C5)OCO6)OC(=O)C)(C)O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy