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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP013113

[(1R,2R,4R,6S,8S,9S,10S,11S,12S,13R,16R,17R,19S,20R)-9,17-diacetyloxy-8-(furan-3-yl)-12-hydroxy-1,9,11,16-tetramethyl-5,14,21-trioxahexacyclo[11.6.1.14,10.02,11.06,10.016,20]henicosan-19-yl] (E)-2-methylbut-2-enoate

Formula: C35H46O11  |  Mol. Weight: 642.70 g/mol

IUPAC: [(1R,2R,4R,6S,8S,9S,10S,11S,12S,13R,16R,17R,19S,20R)-9,17-diacetyloxy-8-(furan-3-yl)-12-hydroxy-1,9,11,16-tetramethyl-5,14,21-trioxahexacyclo[11.6.1.14,10.02,11.06,10.016,20]henicosan-19-yl] (E)-2-methylbut-2-enoate

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Overview

Molecular Formula C35H46O11
Molecular Weight 642.70 g/mol
Canonical SMILES CC=C(C)C(=O)OC1CC(C2(COC3C2C1(C4CC5OC6CC(C(C6(C4(C3O)C)O5)(C)OC(=O)C)C7=COC=C7)C)C)OC(=O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy