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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP004620

(6R)-6-[(1R,3R,6S,8R,11S,12S,14S,15R,16R,18R)-18-hydroxy-7,7,12,16-tetramethyl-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-14-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]-2-methylheptan-3-one

Formula: C41H68O13  |  Mol. Weight: 769.00 g/mol

IUPAC: (6R)-6-[(1R,3R,6S,8R,11S,12S,14S,15R,16R,18R)-18-hydroxy-7,7,12,16-tetramethyl-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-14-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]-2-methylheptan-3-one

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Overview

Molecular Formula C41H68O13
Molecular Weight 769.00 g/mol
Canonical SMILES CC(C)C(=O)CCC(C)C1C(CC2(C1(CC(C34C2CCC5C3(C4)CCC(C5(C)C)OC6C(C(C(C(O6)CO)O)O)O)O)C)C)OC7C(C(C(CO7)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy