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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP013487

2-[(1R,2R,4aR,4bS,6aR,9R,10S,10aR,12aR)-1,4a,4b,6a,9,10-hexamethyl-2-(2-methyl-1-oxopropan-2-yl)-2,3,4,5,6,7,8,9,10,10a,12,12a-dodecahydrochrysen-1-yl]acetic acid

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

IUPAC: 2-[(1R,2R,4aR,4bS,6aR,9R,10S,10aR,12aR)-1,4a,4b,6a,9,10-hexamethyl-2-(2-methyl-1-oxopropan-2-yl)-2,3,4,5,6,7,8,9,10,10a,12,12a-dodecahydrochrysen-1-yl]acetic acid

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Overview

Molecular Formula C30H48O3
Molecular Weight 456.70 g/mol
Canonical SMILES CC1CCC2(CCC3(C(=CCC4C3(CCC(C4(C)CC(=O)O)C(C)(C)C=O)C)C2C1C)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy