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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP002725

(1R,2S,3S,4S,5S,12S)-12-hydroxy-4-methyl-13-methylidene-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytetracyclo[10.2.1.01,9.03,8]pentadeca-6,8-diene-2,4-dicarboxylic acid

Formula: C25H32O11  |  Mol. Weight: 508.50 g/mol

IUPAC: (1R,2S,3S,4S,5S,12S)-12-hydroxy-4-methyl-13-methylidene-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytetracyclo[10.2.1.01,9.03,8]pentadeca-6,8-diene-2,4-dicarboxylic acid

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Overview

Molecular Formula C25H32O11
Molecular Weight 508.50 g/mol
Canonical SMILES CC1(C(C=CC2=C3CCC4(CC3(CC4=C)C(C21)C(=O)O)O)OC5C(C(C(C(O5)CO)O)O)O)C(=O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy