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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP001334

[(1S,2S,4S,6R,7S,9R,13S,14R,15S,16S,17S)-4-benzoyloxy-15-methoxy-2,6,14,17-tetramethyl-3,11-dioxo-10-oxatetracyclo[7.7.1.02,7.013,17]heptadecan-16-yl] 1,3-benzodioxole-5-carboxylate

Formula: C36H40O10  |  Mol. Weight: 632.70 g/mol

IUPAC: [(1S,2S,4S,6R,7S,9R,13S,14R,15S,16S,17S)-4-benzoyloxy-15-methoxy-2,6,14,17-tetramethyl-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 C36H40O10
Molecular Weight 632.70 g/mol
Canonical SMILES CC1CC(C(=O)C2(C1CC3C4(C2C(C(C(C4CC(=O)O3)C)OC)OC(=O)C5=CC6=C(C=C5)OCO6)C)C)OC(=O)C7=CC=CC=C7

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy