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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP008842

methyl (2S)-2-[(1S,2R,3S,4R,7S,8S,12R,14R,16R,17R,18S)-1-acetyloxy-8-(furan-3-yl)-3-hydroxy-7,16,18-trimethyl-10,15-dioxo-9,13-dioxahexacyclo[14.2.1.02,14.03,12.04,18.07,12]nonadecan-17-yl]-2-hydroxyacetate

Formula: C29H34O11  |  Mol. Weight: 558.60 g/mol

IUPAC: methyl (2S)-2-[(1S,2R,3S,4R,7S,8S,12R,14R,16R,17R,18S)-1-acetyloxy-8-(furan-3-yl)-3-hydroxy-7,16,18-trimethyl-10,15-dioxo-9,13-dioxahexacyclo[14.2.1.02,14.03,12.04,18.07,12]nonadecan-17-yl]-2-hydroxyacetate

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Overview

Molecular Formula C29H34O11
Molecular Weight 558.60 g/mol
Canonical SMILES CC(=O)OC12CC3(C(C1(C4CCC5(C(OC(=O)CC56C4(C2C(C3=O)O6)O)C7=COC=C7)C)C)C(C(=O)OC)O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy