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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP009596

(1S,2R,4S,4aS,6aR,6aR,6bR,8aR,12aR,14bS)-4-hydroxy-1,2,6b,9,9,12a-hexamethyl-10-oxo-1,2,3,4,5,6,6a,7,8,8a,11,12,13,14b-tetradecahydropicene-4a,6a-dicarboxylic acid

Formula: C30H44O6  |  Mol. Weight: 500.70 g/mol

IUPAC: (1S,2R,4S,4aS,6aR,6aR,6bR,8aR,12aR,14bS)-4-hydroxy-1,2,6b,9,9,12a-hexamethyl-10-oxo-1,2,3,4,5,6,6a,7,8,8a,11,12,13,14b-tetradecahydropicene-4a,6a-dicarboxylic acid

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Overview

Molecular Formula C30H44O6
Molecular Weight 500.70 g/mol
Canonical SMILES CC1CC(C2(CCC3(C(=CCC4C3(CCC5C4(CCC(=O)C5(C)C)C)C)C2C1C)C(=O)O)C(=O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy