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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP020145

[(1R,2S,3R,4S,8aR)-4-[(1S)-1-acetyloxy-2-(4-hydroxy-5-oxo-2H-furan-3-yl)ethyl]-2,3-dihydroxy-3,4,8,8a-tetramethyl-2,4a,5,6-tetrahydro-1H-naphthalen-1-yl] pyridine-3-carboxylate

Formula: C28H35NO9  |  Mol. Weight: 529.60 g/mol

IUPAC: [(1R,2S,3R,4S,8aR)-4-[(1S)-1-acetyloxy-2-(4-hydroxy-5-oxo-2H-furan-3-yl)ethyl]-2,3-dihydroxy-3,4,8,8a-tetramethyl-2,4a,5,6-tetrahydro-1H-naphthalen-1-yl] pyridine-3-carboxylate

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Overview

Molecular Formula C28H35NO9
Molecular Weight 529.60 g/mol
Canonical SMILES CC1=CCCC2C1(C(C(C(C2(C)C(CC3=C(C(=O)OC3)O)OC(=O)C)(C)O)O)OC(=O)C4=CN=CC=C4)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy