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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP004144

[(1R,3S,4S,5R,6R,8R,9R,11R,13R,14R,15S)-9,11-diacetyloxy-13-hydroxy-3,8,12,12,15-pentamethyl-16-oxo-7,17-dioxatetracyclo[12.2.1.01,5.06,8]heptadecan-4-yl] benzoate

Formula: C31H40O10  |  Mol. Weight: 572.60 g/mol

IUPAC: [(1R,3S,4S,5R,6R,8R,9R,11R,13R,14R,15S)-9,11-diacetyloxy-13-hydroxy-3,8,12,12,15-pentamethyl-16-oxo-7,17-dioxatetracyclo[12.2.1.01,5.06,8]heptadecan-4-yl] benzoate

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Overview

Molecular Formula C31H40O10
Molecular Weight 572.60 g/mol
Canonical SMILES CC1CC23C(C1OC(=O)C4=CC=CC=C4)C5C(O5)(C(CC(C(C(C(O2)C(C3=O)C)O)(C)C)OC(=O)C)OC(=O)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy