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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP002467

2-[(2R,4aS,6S,8R,8aR)-8-hydroxy-4a,8-dimethyl-6-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]prop-2-enoic acid

Formula: C21H34O9  |  Mol. Weight: 430.50 g/mol

IUPAC: 2-[(2R,4aS,6S,8R,8aR)-8-hydroxy-4a,8-dimethyl-6-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]prop-2-enoic acid

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Overview

Molecular Formula C21H34O9
Molecular Weight 430.50 g/mol
Canonical SMILES CC12CCC(CC1C(CC(C2)OC3C(C(C(C(O3)CO)O)O)O)(C)O)C(=C)C(=O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy