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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP009007

[(1S,3S,4S,4aR,8S)-8a-(acetyloxymethyl)-4-[(2S,5R)-5-ethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-3-hydroxy-3,4-dimethylspiro[1,2,4a,5,6,7-hexahydronaphthalene-8,2'-oxirane]-1-yl] pyridine-3-carboxylate

Formula: C30H41NO9  |  Mol. Weight: 559.60 g/mol

IUPAC: [(1S,3S,4S,4aR,8S)-8a-(acetyloxymethyl)-4-[(2S,5R)-5-ethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-3-hydroxy-3,4-dimethylspiro[1,2,4a,5,6,7-hexahydronaphthalene-8,2'-oxirane]-1-yl] pyridine-3-carboxylate

Overview

Molecular Formula C30H41NO9
Molecular Weight 559.60 g/mol
Canonical SMILES CCOC1CC2C(O1)CC(O2)C3(C4CCCC5(C4(C(CC3(C)O)OC(=O)C6=CN=CC=C6)COC(=O)C)CO5)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy