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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP033159

(1R,5S,6S,9R,10R,13S,14R,16R)-13-[(2R)-2-hydroxy-6-methyl-4-oxohept-5-en-2-yl]-5,9,10-trimethyl-6-prop-1-en-2-yl-2-oxatetracyclo[7.6.1.05,16.010,14]hexadecan-3-one

Formula: C29H44O4  |  Mol. Weight: 456.70 g/mol

IUPAC: (1R,5S,6S,9R,10R,13S,14R,16R)-13-[(2R)-2-hydroxy-6-methyl-4-oxohept-5-en-2-yl]-5,9,10-trimethyl-6-prop-1-en-2-yl-2-oxatetracyclo[7.6.1.05,16.010,14]hexadecan-3-one

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Overview

Molecular Formula C29H44O4
Molecular Weight 456.70 g/mol
Canonical SMILES CC(=CC(=O)CC(C)(C1CCC2(C1CC3C4C2(CCC(C4(CC(=O)O3)C)C(=C)C)C)C)O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy