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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP001694

3-[(1R,3aR,4S,4'S,5R)-1',4,4'-trimethyl-4'-[(1Z,2S)-1-(4-methyl-5-oxofuran-2-ylidene)propan-2-yl]-5-prop-1-en-2-ylspiro[3,3a,5,6-tetrahydro-2H-indene-1,5'-cyclopentene]-4-yl]propanoic acid

Formula: C30H40O4  |  Mol. Weight: 464.60 g/mol

IUPAC: 3-[(1R,3aR,4S,4'S,5R)-1',4,4'-trimethyl-4'-[(1Z,2S)-1-(4-methyl-5-oxofuran-2-ylidene)propan-2-yl]-5-prop-1-en-2-ylspiro[3,3a,5,6-tetrahydro-2H-indene-1,5'-cyclopentene]-4-yl]propanoic acid

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Overview

Molecular Formula C30H40O4
Molecular Weight 464.60 g/mol
Canonical SMILES CC1=CCC(C12CCC3C2=CCC(C3(C)CCC(=O)O)C(=C)C)(C)C(C)C=C4C=C(C(=O)O4)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy