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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP013469

(2E,4E,6S)-6-[(2S,3S,4R,5R,6S,8R,9S)-9-ethyl-4-hydroxy-3,5,8-trimethyl-1,7-dioxaspiro[5.5]undec-10-en-2-yl]hepta-2,4-dienoic acid

Formula: C21H32O5  |  Mol. Weight: 364.50 g/mol

IUPAC: (2E,4E,6S)-6-[(2S,3S,4R,5R,6S,8R,9S)-9-ethyl-4-hydroxy-3,5,8-trimethyl-1,7-dioxaspiro[5.5]undec-10-en-2-yl]hepta-2,4-dienoic acid

Overview

Molecular Formula C21H32O5
Molecular Weight 364.50 g/mol
Canonical SMILES CCC1C=CC2(C(C(C(C(O2)C(C)C=CC=CC(=O)O)C)O)C)OC1C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy