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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP021122

6-(8-Carboxy-2-hydroxy-4b,8-dimethyl-1-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-3-yl)-7-hydroxy-1,4a-dimethyl-8-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid

Formula: C40H54O6  |  Mol. Weight: 630.90 g/mol

IUPAC: 6-(8-carboxy-2-hydroxy-4b,8-dimethyl-1-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-3-yl)-7-hydroxy-1,4a-dimethyl-8-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid

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Overview

Molecular Formula C40H54O6
Molecular Weight 630.90 g/mol
Canonical SMILES CC(C)C1=C(C(=CC2=C1CCC3C2(CCCC3(C)C(=O)O)C)C4=CC5=C(CCC6C5(CCCC6(C)C(=O)O)C)C(=C4O)C(C)C)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy