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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP013233

methyl 2-methyl-2-[(1R,5S,6R,9R,10R,13S,14R,16R)-5,9,10-trimethyl-13-[(2Z)-6-methyl-4-oxohepta-2,5-dien-2-yl]-3-oxo-2-oxatetracyclo[7.6.1.05,16.010,14]hexadecan-6-yl]propanoate

Formula: C31H46O5  |  Mol. Weight: 498.70 g/mol

IUPAC: methyl 2-methyl-2-[(1R,5S,6R,9R,10R,13S,14R,16R)-5,9,10-trimethyl-13-[(2Z)-6-methyl-4-oxohepta-2,5-dien-2-yl]-3-oxo-2-oxatetracyclo[7.6.1.05,16.010,14]hexadecan-6-yl]propanoate

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Overview

Molecular Formula C31H46O5
Molecular Weight 498.70 g/mol
Canonical SMILES CC(=CC(=O)C=C(C)C1CCC2(C1CC3C4C2(CCC(C4(CC(=O)O3)C)C(C)(C)C(=O)OC)C)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy