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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP003128

3-[(1S,4R,6S,9S,10R,13R,14R)-6-[(2R,3S,4R,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-9,13-dimethyl-17-oxo-14-tetracyclo[11.3.1.01,10.04,9]heptadecanyl]-2H-furan-5-one

Formula: C30H44O8  |  Mol. Weight: 532.70 g/mol

IUPAC: 3-[(1S,4R,6S,9S,10R,13R,14R)-6-[(2R,3S,4R,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-9,13-dimethyl-17-oxo-14-tetracyclo[11.3.1.01,10.04,9]heptadecanyl]-2H-furan-5-one

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Overview

Molecular Formula C30H44O8
Molecular Weight 532.70 g/mol
Canonical SMILES CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC45C3CCC(C4=O)(C(CC5)C6=CC(=O)OC6)C)C)O)OC)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy