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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP003868

methyl (1R,2S,3R,6R,8S,9S,10R,13S,14R,15R,16S,17S)-3-[(E)-4-acetyloxy-3,4-dimethylpent-2-enoyl]oxy-10,15,16-trihydroxy-9,13-dimethyl-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadecane-17-carboxylate

Formula: C30H40O13  |  Mol. Weight: 608.60 g/mol

IUPAC: methyl (1R,2S,3R,6R,8S,9S,10R,13S,14R,15R,16S,17S)-3-[(E)-4-acetyloxy-3,4-dimethylpent-2-enoyl]oxy-10,15,16-trihydroxy-9,13-dimethyl-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadecane-17-carboxylate

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Overview

Molecular Formula C30H40O13
Molecular Weight 608.60 g/mol
Canonical SMILES CC1C2CC3C45COC(C4C(C(=O)O3)OC(=O)C=C(C)C(C)(C)OC(=O)C)(C(C(C5C2(CC(=O)C1O)C)O)O)C(=O)OC

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy