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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP012944

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

Formula: C31H50O5  |  Mol. Weight: 502.70 g/mol

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

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Overview

Molecular Formula C31H50O5
Molecular Weight 502.70 g/mol
Canonical SMILES CC1C(CCC2(C1C3=CC(C4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)OC)C(=O)O)CO

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy