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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP002459

[(1S,2R,3R,7S,9S,10R,11R,12S,14S,15R,16S,17S,22S,23S,24S,25R)-14,25-diacetyloxy-3,22-dihydroxy-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-10-yl] 2-methylpropanoate

Formula: C36H48O12  |  Mol. Weight: 672.80 g/mol

IUPAC: [(1S,2R,3R,7S,9S,10R,11R,12S,14S,15R,16S,17S,22S,23S,24S,25R)-14,25-diacetyloxy-3,22-dihydroxy-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-10-yl] 2-methylpropanoate

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Overview

Molecular Formula C36H48O12
Molecular Weight 672.80 g/mol
Canonical SMILES CC1C=C2C(C3C1C4(C(CC5C(C4C3OC(=O)C)C(C(=O)C6C5(C(C7C(C6)O7)OC(=O)C(C)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