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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP019779

(1S,2R,7S,9R,11R,12R,14S,16R,17R)-2,17-dimethyl-16-[(1R,4R,5R)-1-methyl-8-methylidene-7-oxo-2,6-dioxabicyclo[3.3.1]nonan-4-yl]-8,13-dioxahexacyclo[9.8.0.02,7.07,9.012,14.012,17]nonadec-4-en-3-one

Formula: C28H34O6  |  Mol. Weight: 466.60 g/mol

IUPAC: (1S,2R,7S,9R,11R,12R,14S,16R,17R)-2,17-dimethyl-16-[(1R,4R,5R)-1-methyl-8-methylidene-7-oxo-2,6-dioxabicyclo[3.3.1]nonan-4-yl]-8,13-dioxahexacyclo[9.8.0.02,7.07,9.012,14.012,17]nonadec-4-en-3-one

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Overview

Molecular Formula C28H34O6
Molecular Weight 466.60 g/mol
Canonical SMILES CC12CCC3C(C14C(O4)CC2C5COC6(CC5OC(=O)C6=C)C)CC7C8(C3(C(=O)C=CC8)C)O7

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy