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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP000430

16alpha-Acetoxyasclepin

Formula: C33H44O12  |  Mol. Weight: 632.70 g/mol

IUPAC: [(1S,3R,5S,7R,9S,10S,12R,14R,15S,18R,19R,20R,22S,23R)-20-acetyloxy-14-formyl-10,22-dihydroxy-7,18-dimethyl-19-(5-oxo-2H-furan-3-yl)-4,6,11-trioxahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacosan-9-yl] acetate

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Overview

Molecular Formula C33H44O12
Molecular Weight 632.70 g/mol
Canonical SMILES CC1CC(C2(C(O1)OC3CC4CCC5C(C4(CC3O2)C=O)CCC6(C5(CC(C6C7=CC(=O)OC7)OC(=O)C)O)C)O)OC(=O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy