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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP005774

(1S,2S,4S,5R,10R,11S,14S,15S,18S)-15-[(1R)-1-[(4S)-4,5-dimethyl-6-oxooxan-2-yl]-1-hydroxyethyl]-5-hydroxy-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,14S,15S,18S)-15-[(1R)-1-[(4S)-4,5-dimethyl-6-oxooxan-2-yl]-1-hydroxyethyl]-5-hydroxy-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 CC1CC(OC(=O)C1C)C(C)(C2CCC3C2(CCC4C3C5C(O5)C6(C4(C(=O)C=CC6)C)O)C)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy