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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP025368

[(1S,2S,4R,5R,7S,9S,10R,11S,12S,13S,14R,15R,16S,17S,22S,23S,24R,25R)-10,14-diacetyloxy-4,5,22,25-tetrahydroxy-11,15,17,22,23-pentamethyl-3,21-dioxo-8,20-dioxaheptacyclo[13.10.0.02,12.05,11.07,9.016,24.019,23]pentacos-18-en-13-yl] acetate

Formula: C34H44O14  |  Mol. Weight: 676.70 g/mol

IUPAC: [(1S,2S,4R,5R,7S,9S,10R,11S,12S,13S,14R,15R,16S,17S,22S,23S,24R,25R)-10,14-diacetyloxy-4,5,22,25-tetrahydroxy-11,15,17,22,23-pentamethyl-3,21-dioxo-8,20-dioxaheptacyclo[13.10.0.02,12.05,11.07,9.016,24.019,23]pentacos-18-en-13-yl] acetate

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Overview

Molecular Formula C34H44O14
Molecular Weight 676.70 g/mol
Canonical SMILES CC1C=C2C(C3C1C4(C(C3O)C5C(C(C4OC(=O)C)OC(=O)C)C6(C(C7C(O7)CC6(C(C5=O)O)O)OC(=O)C)C)C)(C(C(=O)O2)(C)O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy