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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP038169

3-[(1R,4S,4aR,4bR,6aR,9R,10aS,12aR)-4,6a-dihydroxy-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: C29H46O7  |  Mol. Weight: 506.70 g/mol

IUPAC: 3-[(1R,4S,4aR,4bR,6aR,9R,10aS,12aR)-4,6a-dihydroxy-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 C29H46O7
Molecular Weight 506.70 g/mol
Canonical SMILES CC1(CCC2(C(C1)C3=CCC4C(C(CC(C4(C3(CC2=O)C)C)O)C(C)(C)O)(C)CCC(=O)O)O)CO

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy