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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP012531

2-[(1S,2S,4aR,8R,8aS)-8-[[(3aS,5aR,9S,9aS,9bS)-5a,9-dimethyl-3-methylidene-2-oxo-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-9-yl]oxy]-1-hydroxy-4a,8-dimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]prop-2-enal

Formula: C30H44O5  |  Mol. Weight: 484.70 g/mol

IUPAC: 2-[(1S,2S,4aR,8R,8aS)-8-[[(3aS,5aR,9S,9aS,9bS)-5a,9-dimethyl-3-methylidene-2-oxo-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-9-yl]oxy]-1-hydroxy-4a,8-dimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]prop-2-enal

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Overview

Molecular Formula C30H44O5
Molecular Weight 484.70 g/mol
Canonical SMILES CC12CCCC(C1C3C(CC2)C(=C)C(=O)O3)(C)OC4(CCCC5(C4C(C(CC5)C(=C)C=O)O)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy