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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP038261

butyl 3-[(1R,2R,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]propanoate

Formula: C33H54O7  |  Mol. Weight: 562.80 g/mol

IUPAC: butyl 3-[(1R,2R,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]propanoate

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Overview

Molecular Formula C33H54O7
Molecular Weight 562.80 g/mol
Canonical SMILES CCCCOC(=O)CCC1(C2CC=C3C4CC(CCC4(C(=O)CC3(C2(C(CC1C(C)(C)O)O)C)C)O)(C)CO)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy