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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP017947

(3R,4R,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bS)-methyl 3-hydroxy-4,6a,6b,8a,11,12,14b-heptamethyl-14-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-4-carboxylate

Formula: C31H48O4  |  Mol. Weight: 484.70 g/mol

IUPAC: methyl (3R,4R,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bS)-3-hydroxy-4,6a,6b,8a,11,12,14b-heptamethyl-14-oxo-1,2,3,4a,5,6,7,8,9,10,11,12,12a,14a-tetradecahydropicene-4-carboxylate

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Overview

Molecular Formula C31H48O4
Molecular Weight 484.70 g/mol
Canonical SMILES CC1CCC2(CCC3(C(=CC(=O)C4C3(CCC5C4(CCC(C5(C)C(=O)OC)O)C)C)C2C1C)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy