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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP038256

3-[(1S,4aR,4bS,6aR,9R,10aS,12aR)-6a-hydroxy-9-(hydroxymethyl)-1,4a,4b,9-tetramethyl-6-oxo-2-prop-1-en-2-yl-2,3,4,5,7,8,10,10a,12,12a-decahydrochrysen-1-yl]propanoic acid

Formula: C29H44O5  |  Mol. Weight: 472.70 g/mol

IUPAC: 3-[(1S,4aR,4bS,6aR,9R,10aS,12aR)-6a-hydroxy-9-(hydroxymethyl)-1,4a,4b,9-tetramethyl-6-oxo-2-prop-1-en-2-yl-2,3,4,5,7,8,10,10a,12,12a-decahydrochrysen-1-yl]propanoic acid

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Overview

Molecular Formula C29H44O5
Molecular Weight 472.70 g/mol
Canonical SMILES CC(=C)C1CCC2(C(C1(C)CCC(=O)O)CC=C3C2(CC(=O)C4(C3CC(CC4)(C)CO)O)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy