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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP010972

3-Epikatonic acid

Formula: C30H48O3  |  Mol. Weight: 456.70 g/mol

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

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Overview

Molecular Formula C30H48O3
Molecular Weight 456.70 g/mol
Canonical SMILES CC1(C2CCC3(C(C2(CCC1O)C)CC=C4C3(CCC5(C4CC(CC5)(C)C(=O)O)C)C)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy