BIMP Logo
SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP011568

methyl (Z)-3-[(1R,2R,4S,7S,8R,9S,10R,11R,12R,13R,17S)-9,10-diacetyloxy-7-(furan-3-yl)-13,17-dihydroxy-1,8,12,15,15-pentamethyl-5,14-dioxo-3,6,16-trioxapentacyclo[9.6.0.02,4.02,8.013,17]heptadecan-12-yl]prop-2-enoate

Formula: C31H36O14  |  Mol. Weight: 632.60 g/mol

IUPAC: methyl (Z)-3-[(1R,2R,4S,7S,8R,9S,10R,11R,12R,13R,17S)-9,10-diacetyloxy-7-(furan-3-yl)-13,17-dihydroxy-1,8,12,15,15-pentamethyl-5,14-dioxo-3,6,16-trioxapentacyclo[9.6.0.02,4.02,8.013,17]heptadecan-12-yl]prop-2-enoate

Overview

Molecular Formula C31H36O14
Molecular Weight 632.60 g/mol
Canonical SMILES CC(=O)OC1C2C(C3(C(=O)C(OC3(C2(C45C(O4)C(=O)OC(C5(C1OC(=O)C)C)C6=COC=C6)C)O)(C)C)O)(C)C=CC(=O)OC

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy