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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP038696

[(1S,3S,4S,5S,10R,12S,14R,15S,16R,18R,19S,20R,22S)-3-acetyloxy-12-[(2S)-butan-2-yl]-5-(furan-3-yl)-15,16-dihydroxy-19-(2-methoxy-2-oxoethyl)-4,18,20-trimethyl-7-oxo-6,11,13,21-tetraoxaheptacyclo[10.8.1.115,18.01,10.04,9.010,14.016,20]docos-8-en-22-yl] (E)-2-methylbut-2-enoate

Formula: C39H48O14  |  Mol. Weight: 740.80 g/mol

IUPAC: [(1S,3S,4S,5S,10R,12S,14R,15S,16R,18R,19S,20R,22S)-3-acetyloxy-12-[(2S)-butan-2-yl]-5-(furan-3-yl)-15,16-dihydroxy-19-(2-methoxy-2-oxoethyl)-4,18,20-trimethyl-7-oxo-6,11,13,21-tetraoxaheptacyclo[10.8.1.115,18.01,10.04,9.010,14.016,20]docos-8-en-22-yl] (E)-2-methylbut-2-enoate

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Overview

Molecular Formula C39H48O14
Molecular Weight 740.80 g/mol
Canonical SMILES CCC(C)C12OC3C4(C(C5(CC4(C(C5CC(=O)OC)(C6(C3(O1)C7=CC(=O)OC(C7(C(C6)OC(=O)C)C)C8=COC=C8)O2)C)O)C)OC(=O)C(=CC)C)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy