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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP001700

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

Formula: C29H36O11  |  Mol. Weight: 560.60 g/mol

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

Overview

Molecular Formula C29H36O11
Molecular Weight 560.60 g/mol
Canonical SMILES CC(=O)OC12CC3(C(C4C1C5(C(C2(C3C(C(=O)OC)O)C)CCC6(C5(O4)CC(=O)OC6C7=COC=C7)C)O)O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy