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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP016910

[(1S,2R,4aR,6aS,6aS,8aS,10R,12aS,13R,14aS,14bR)-10-hydroxy-1,2,4a,6a,9,9,12a,14a-octamethyl-12-oxo-1,2,3,4,5,6,6a,8,8a,10,11,13,14,14b-tetradecahydropicen-13-yl] 4-hydroxy-3-methoxybenzoate

Formula: C38H54O6  |  Mol. Weight: 606.80 g/mol

IUPAC: [(1S,2R,4aR,6aS,6aS,8aS,10R,12aS,13R,14aS,14bR)-10-hydroxy-1,2,4a,6a,9,9,12a,14a-octamethyl-12-oxo-1,2,3,4,5,6,6a,8,8a,10,11,13,14,14b-tetradecahydropicen-13-yl] 4-hydroxy-3-methoxybenzoate

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Overview

Molecular Formula C38H54O6
Molecular Weight 606.80 g/mol
Canonical SMILES CC1CCC2(CCC3(C4=CCC5C(C(CC(=O)C5(C4C(CC3(C2C1C)C)OC(=O)C6=CC(=C(C=C6)O)OC)C)O)(C)C)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy