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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP031263

[(2R,3S,4S,5R,6S)-6-[[(1R,3R,6R,8S)-2-(benzoyloxymethyl)-6-hydroxy-8-methyl-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decan-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl (1R,2R,5R,6S)-2-(hydroxymethyl)-6-methylbicyclo[3.1.1]heptane-6-carboxylate

Formula: C33H42O13  |  Mol. Weight: 646.70 g/mol

IUPAC: [(2R,3S,4S,5R,6S)-6-[[(1R,3R,6R,8S)-2-(benzoyloxymethyl)-6-hydroxy-8-methyl-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decan-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl (1R,2R,5R,6S)-2-(hydroxymethyl)-6-methylbicyclo[3.1.1]heptane-6-carboxylate

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Overview

Molecular Formula C33H42O13
Molecular Weight 646.70 g/mol
Canonical SMILES CC12CC3(C4CC1(C4(C(O2)O3)COC(=O)C5=CC=CC=C5)OC6C(C(C(C(O6)COC(=O)C7(C8CCC(C7C8)CO)C)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy