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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP011816

methyl (E)-3-[(1S,2R,4S,7S,8S,11R,12S,16S,17R,18S)-17,18-diacetyloxy-7-(furan-3-yl)-1,8,15,15-tetramethyl-5-oxo-3,6,14-trioxapentacyclo[9.7.0.02,4.02,8.012,16]octadecan-12-yl]prop-2-enoate

Formula: C31H38O11  |  Mol. Weight: 586.60 g/mol

IUPAC: methyl (E)-3-[(1S,2R,4S,7S,8S,11R,12S,16S,17R,18S)-17,18-diacetyloxy-7-(furan-3-yl)-1,8,15,15-tetramethyl-5-oxo-3,6,14-trioxapentacyclo[9.7.0.02,4.02,8.012,16]octadecan-12-yl]prop-2-enoate

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Overview

Molecular Formula C31H38O11
Molecular Weight 586.60 g/mol
Canonical SMILES CC(=O)OC1C2C(OCC2(C3CCC4(C(OC(=O)C5C4(C3(C1OC(=O)C)C)O5)C6=COC=C6)C)C=CC(=O)OC)(C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy