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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP007725

(4aS,6aS,6aR,6bS,8aS,9R,12aS,14aR,14bS)-14a-[[(Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]-2,2,6a,6a,8a,9-hexamethyl-10-oxo-3,4,5,6,6b,7,8,9,11,12,12a,13,14,14b-tetradecahydro-1H-picene-4a-carboxylic acid

Formula: C39H54O6  |  Mol. Weight: 618.80 g/mol

IUPAC: (4aS,6aS,6aR,6bS,8aS,9R,12aS,14aR,14bS)-14a-[[(Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]-2,2,6a,6a,8a,9-hexamethyl-10-oxo-3,4,5,6,6b,7,8,9,11,12,12a,13,14,14b-tetradecahydro-1H-picene-4a-carboxylic acid

Overview

Molecular Formula C39H54O6
Molecular Weight 618.80 g/mol
Canonical SMILES CC1C(=O)CCC2C1(CCC3C2(CCC4(C3(CCC5(C4CC(CC5)(C)C)C(=O)O)C)COC(=O)C=CC6=CC=C(C=C6)O)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy