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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP009287

[(1R,2R,3S,4S,6S,10R,11R,13S,15S,16R,17R,18R,19R,23R)-16-acetyloxy-19-(furan-3-yl)-2,4,16-trihydroxy-5,13,18-trimethyl-8,21-dioxo-9,12,14,20,24-pentaoxaoctacyclo[11.10.1.15,11.01,15.03,11.06,10.010,15.018,23]pentacosan-17-yl] acetate

Formula: C31H34O15  |  Mol. Weight: 646.60 g/mol

IUPAC: [(1R,2R,3S,4S,6S,10R,11R,13S,15S,16R,17R,18R,19R,23R)-16-acetyloxy-19-(furan-3-yl)-2,4,16-trihydroxy-5,13,18-trimethyl-8,21-dioxo-9,12,14,20,24-pentaoxaoctacyclo[11.10.1.15,11.01,15.03,11.06,10.010,15.018,23]pentacosan-17-yl] acetate

Overview

Molecular Formula C31H34O15
Molecular Weight 646.60 g/mol
Canonical SMILES CC(=O)OC1C2(C(CC(=O)OC2C3=COC=C3)C45C(C6C(C7(CC68C9(C7CC(=O)O9)C4(C1(O)OC(=O)C)OC(O8)(O5)C)C)O)O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy