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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP000042

Celestrol methyl ester

Formula: C30H40O4  |  Mol. Weight: 464.60 g/mol

IUPAC: methyl (2R,4aS,6aR,6aS,14aS)-10-hydroxy-2,4a,6a,6a,9,14a-hexamethyl-11-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylate

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Overview

Molecular Formula C30H40O4
Molecular Weight 464.60 g/mol
Canonical SMILES CC1=C(C(=O)C=C2C1=CC=C3C2(CCC4(C3(CCC5(C4CC(CC5)(C)C(=O)OC)C)C)C)C)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy

Therapeutics & Targets