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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP038196

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

Formula: C29H46O6  |  Mol. Weight: 490.70 g/mol

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

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Overview

Molecular Formula C29H46O6
Molecular Weight 490.70 g/mol
Canonical SMILES CC1(CCC2(C(C1)C3=CCC4C(C3(CC2=O)C)(CCC(C4(C)CCC(=O)O)C(C)(C)O)C)O)CO

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy