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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP025704

[(2R,3S,4R,5R,6R)-6-[[(1R,2S,6R,10S,11R,13S,15R)-13-acetyloxy-1,6-dihydroxy-4,12,12,15-tetramethyl-5-oxo-8-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl]methoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl] 3,4,5-trihydroxybenzoate

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

IUPAC: [(2R,3S,4R,5R,6R)-6-[[(1R,2S,6R,10S,11R,13S,15R)-13-acetyloxy-1,6-dihydroxy-4,12,12,15-tetramethyl-5-oxo-8-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl]methoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl] 3,4,5-trihydroxybenzoate

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Overview

Molecular Formula C35H44O15
Molecular Weight 704.70 g/mol
Canonical SMILES CC1CC2(C(C2(C)C)C3C1(C4C=C(C(=O)C4(CC(=C3)COC5C(C(C(C(O5)CO)OC(=O)C6=CC(=C(C(=C6)O)O)O)O)O)O)C)O)OC(=O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy