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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP033391

methyl (Z)-3-[(1R,2R,4S,7S,8S,9S,10R,11R,12S,13R,17S)-10-acetyloxy-7-(furan-3-yl)-9,13,17-trihydroxy-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: C29H34O13  |  Mol. Weight: 590.60 g/mol

IUPAC: methyl (Z)-3-[(1R,2R,4S,7S,8S,9S,10R,11R,12S,13R,17S)-10-acetyloxy-7-(furan-3-yl)-9,13,17-trihydroxy-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

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Overview

Molecular Formula C29H34O13
Molecular Weight 590.60 g/mol
Canonical SMILES CC(=O)OC1C2C(C3(C(=O)C(OC3(C2(C45C(O4)C(=O)OC(C5(C1O)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