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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP005683

dimethyl (1S,4S,5S,6R,7S,8R,11S,12R,14S,15R)-12-acetyloxy-4,7-dihydroxy-6-[(1S,2S,6S,8S)-2-hydroxy-10-methyl-5,7-dioxatricyclo[6.2.1.02,6]undeca-3,9-dien-9-yl]-6-methyl-14-[(E)-2-methylbut-2-enoyl]oxy-3,9-dioxatetracyclo[6.6.1.01,5.011,15]pentadecane-4,11-dicarboxylate

Formula: C35H44O15  |  Mol. Weight: 704.70 g/mol

IUPAC: dimethyl (1S,4S,5S,6R,7S,8R,11S,12R,14S,15R)-12-acetyloxy-4,7-dihydroxy-6-[(1S,2S,6S,8S)-2-hydroxy-10-methyl-5,7-dioxatricyclo[6.2.1.02,6]undeca-3,9-dien-9-yl]-6-methyl-14-[(E)-2-methylbut-2-enoyl]oxy-3,9-dioxatetracyclo[6.6.1.01,5.011,15]pentadecane-4,11-dicarboxylate

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Overview

Molecular Formula C35H44O15
Molecular Weight 704.70 g/mol
Canonical SMILES CC=C(C)C(=O)OC1CC(C2(COC3C2C14COC(C4C(C3O)(C)C5=C(C6CC5OC7C6(C=CO7)O)C)(C(=O)OC)O)C(=O)OC)OC(=O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy