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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP000971

(1S,2S,4S,5R,10R,11S,14R,15R,18S)-5-hydroxy-15-[(1S)-1-[(1S,2R,4S,6S)-2-hydroxy-1,6-dimethyl-3,7-dioxabicyclo[4.1.0]heptan-4-yl]ethyl]-10,14-dimethyl-3-oxapentacyclo[9.7.0.02,4.05,10.014,18]octadec-7-en-9-one

Formula: C28H40O6  |  Mol. Weight: 472.60 g/mol

IUPAC: (1S,2S,4S,5R,10R,11S,14R,15R,18S)-5-hydroxy-15-[(1S)-1-[(1S,2R,4S,6S)-2-hydroxy-1,6-dimethyl-3,7-dioxabicyclo[4.1.0]heptan-4-yl]ethyl]-10,14-dimethyl-3-oxapentacyclo[9.7.0.02,4.05,10.014,18]octadec-7-en-9-one

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Overview

Molecular Formula C28H40O6
Molecular Weight 472.60 g/mol
Canonical SMILES CC(C1CCC2C1(CCC3C2C4C(O4)C5(C3(C(=O)C=CC5)C)O)C)C6CC7(C(O7)(C(O6)O)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy