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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP004584

methyl (1S,2R,4aS,6aS,6aS,6bR,8aR,9R,10R,11R,12S,12aR,14bS)-10,11,12-trihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylate

Formula: C31H50O6  |  Mol. Weight: 518.70 g/mol

IUPAC: methyl (1S,2R,4aS,6aS,6aS,6bR,8aR,9R,10R,11R,12S,12aR,14bS)-10,11,12-trihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylate

Overview

Molecular Formula C31H50O6
Molecular Weight 518.70 g/mol
Canonical SMILES CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(C(C(C(C5(C)CO)O)O)O)C)C)C2C1C)C)C(=O)OC

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy