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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP002457

[(1S,2R,3R,5S,7S,9S,10R,11R,12S,14S,15R,16S,17S,22S,23S,24S,25R)-10-acetyloxy-3,22,25-trihydroxy-11,15,17,22,23-pentamethyl-4,21-dioxo-8,20-dioxaheptacyclo[13.10.0.02,12.05,11.07,9.016,24.019,23]pentacos-18-en-14-yl] acetate

Formula: C32H42O11  |  Mol. Weight: 602.70 g/mol

IUPAC: [(1S,2R,3R,5S,7S,9S,10R,11R,12S,14S,15R,16S,17S,22S,23S,24S,25R)-10-acetyloxy-3,22,25-trihydroxy-11,15,17,22,23-pentamethyl-4,21-dioxo-8,20-dioxaheptacyclo[13.10.0.02,12.05,11.07,9.016,24.019,23]pentacos-18-en-14-yl] acetate

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Overview

Molecular Formula C32H42O11
Molecular Weight 602.70 g/mol
Canonical SMILES CC1C=C2C(C3C1C4(C(CC5C(C4C3O)C(C(=O)C6C5(C(C7C(C6)O7)OC(=O)C)C)O)OC(=O)C)C)(C(C(=O)O2)(C)O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy