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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP026278

Capsanthone-3,6-epoxide

Formula: C40H54O4  |  Mol. Weight: 598.90 g/mol

IUPAC: (3R)-3-[(2E,4E,6E,8E,10E,12E,14E,16E,18E)-19-[(1R,2R,4S)-2-hydroxy-2,6,6-trimethyl-7-oxabicyclo[2.2.1]heptan-1-yl]-4,8,13,17-tetramethylnonadeca-2,4,6,8,10,12,14,16,18-nonaenoyl]-3,4,4-trimethylcyclopentan-1-one

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Overview

Molecular Formula C40H54O4
Molecular Weight 598.90 g/mol
Canonical SMILES CC(=CC=CC=C(C)C=CC=C(C)C=CC12C(CC(O1)CC2(C)O)(C)C)C=CC=C(C)C=CC(=O)C3(CC(=O)CC3(C)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy