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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP009902

cylindrocyclophane D

Formula: C40H60O8  |  Mol. Weight: 668.90 g/mol

IUPAC: [(2R,3S,8S,13R,14S,19S)-13-acetyloxy-8,19-dibutyl-10,21,24,26-tetrahydroxy-3,14-dimethyl-2-tricyclo[18.2.2.29,12]hexacosa-1(22),9,11,20,23,25-hexaenyl] acetate

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Overview

Molecular Formula C40H60O8
Molecular Weight 668.90 g/mol
Canonical SMILES CCCCC1CCCCC(C(C2=CC(=C(C(CCCCC(C(C3=CC(=C1C(=C3)O)O)OC(=O)C)C)CCCC)C(=C2)O)O)OC(=O)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy