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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP012815

[(1R,3R,4R,4aS,7S,8aS)-4-hydroxy-3,4a,8,8-tetramethyl-4-[2-(5-oxo-2H-furan-4-yl)ethyl]-7-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,5,6,7,8a-hexahydro-1H-naphthalen-1-yl] acetate

Formula: C28H44O11  |  Mol. Weight: 556.60 g/mol

IUPAC: [(1R,3R,4R,4aS,7S,8aS)-4-hydroxy-3,4a,8,8-tetramethyl-4-[2-(5-oxo-2H-furan-4-yl)ethyl]-7-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,5,6,7,8a-hexahydro-1H-naphthalen-1-yl] acetate

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Overview

Molecular Formula C28H44O11
Molecular Weight 556.60 g/mol
Canonical SMILES CC1CC(C2C(C(CCC2(C1(CCC3=CCOC3=O)O)C)OC4C(C(C(C(O4)CO)O)O)O)(C)C)OC(=O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy