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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP016854

[(3S,4aR,6aR,6bS,8aR,12aR,14aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl] (2E,4E)-6-oxodeca-2,4-dienoate

Formula: C40H62O3  |  Mol. Weight: 590.90 g/mol

IUPAC: [(3S,4aR,6aR,6bS,8aR,12aR,14aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl] (2E,4E)-6-oxodeca-2,4-dienoate

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Overview

Molecular Formula C40H62O3
Molecular Weight 590.90 g/mol
Canonical SMILES CCCCC(=O)C=CC=CC(=O)OC1CCC2(C(C1(C)C)CCC3(C2CC=C4C3(CCC5(C4CC(CC5)(C)C)C)C)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy