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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP013236

[(3S,4aR,6aR,6bS,8aR,12aR,14aR,14bS)-12a-hydroperoxy-4,4,6a,6b,8a,11,11,14b-octamethyl-14-oxo-1,2,3,4a,5,6,7,8,9,10,12,14a-dodecahydropicen-3-yl] acetate

Formula: C32H50O5  |  Mol. Weight: 514.70 g/mol

IUPAC: [(3S,4aR,6aR,6bS,8aR,12aR,14aR,14bS)-12a-hydroperoxy-4,4,6a,6b,8a,11,11,14b-octamethyl-14-oxo-1,2,3,4a,5,6,7,8,9,10,12,14a-dodecahydropicen-3-yl] acetate

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Overview

Molecular Formula C32H50O5
Molecular Weight 514.70 g/mol
Canonical SMILES CC(=O)OC1CCC2(C(C1(C)C)CCC3(C2C(=O)C=C4C3(CCC5(C4(CC(CC5)(C)C)OO)C)C)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy