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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP013410

methyl (1S,2S,6Z,10S,11S)-6-butylidene-4-oxo-1-pentanoyl-5-oxatetracyclo[9.2.2.02,10.03,7]pentadeca-3(7),12-diene-13-carboxylate

Formula: C25H32O5  |  Mol. Weight: 412.50 g/mol

IUPAC: methyl (1S,2S,6Z,10S,11S)-6-butylidene-4-oxo-1-pentanoyl-5-oxatetracyclo[9.2.2.02,10.03,7]pentadeca-3(7),12-diene-13-carboxylate

Overview

Molecular Formula C25H32O5
Molecular Weight 412.50 g/mol
Canonical SMILES CCCCC(=O)C12CCC(C=C1C(=O)OC)C3C2C4=C(CC3)C(=CCCC)OC4=O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy