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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP001596

[(1R,2R,3R,6S,7R,8S,9R,11S,13S,14S,15R,16S,17R)-2,3,11,15,16-pentahydroxy-9,13,17-trimethyl-4,12-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadecan-7-yl] (E)-2-methylbut-2-enoate

Formula: C25H34O11  |  Mol. Weight: 510.50 g/mol

IUPAC: [(1R,2R,3R,6S,7R,8S,9R,11S,13S,14S,15R,16S,17R)-2,3,11,15,16-pentahydroxy-9,13,17-trimethyl-4,12-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadecan-7-yl] (E)-2-methylbut-2-enoate

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Overview

Molecular Formula C25H34O11
Molecular Weight 510.50 g/mol
Canonical SMILES CC=C(C)C(=O)OC1C2C(CC(C(=O)C2(C3C(C(C4(C5(C3(C1OC(=O)C5O)CO4)O)C)O)O)C)O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy