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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP022021

(4S)-4-Hydroxy-3,5,5-trimethyl-4-[(1E,3E)-3-methyl-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypenta-1,3-dienyl]cyclohex-2-en-1-one

Formula: C21H32O8  |  Mol. Weight: 412.50 g/mol

IUPAC: (4S)-4-hydroxy-3,5,5-trimethyl-4-[(1E,3E)-3-methyl-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypenta-1,3-dienyl]cyclohex-2-en-1-one

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Overview

Molecular Formula C21H32O8
Molecular Weight 412.50 g/mol
Canonical SMILES CC1=CC(=O)CC(C1(C=CC(=CCOC2C(C(C(C(O2)CO)O)O)O)C)O)(C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy