BIMP Logo
SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP029872

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

Formula: C37H54O6  |  Mol. Weight: 594.80 g/mol

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

Overview

Molecular Formula C37H54O6
Molecular Weight 594.80 g/mol
Canonical SMILES CC1C2C3C(C(C4C5(CCC(C(C5CCC4(C3(CCC2(CC=C1C)C(=O)O)C)C)(C)C)OC6=CC=C(C=C6)O)C)OC)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy