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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP001976

[(1R,2R,3S,4S,4aR,11bR)-2,3,4,7-tetrahydroxy-6-oxo-2,3,4,4a,5,11b-hexahydro-1H-[1,3]dioxolo[4,5-j]phenanthridin-1-yl] (3S)-3-hydroxybutanoate

Formula: C18H21NO10  |  Mol. Weight: 411.40 g/mol

IUPAC: [(1R,2R,3S,4S,4aR,11bR)-2,3,4,7-tetrahydroxy-6-oxo-2,3,4,4a,5,11b-hexahydro-1H-[1,3]dioxolo[4,5-j]phenanthridin-1-yl] (3S)-3-hydroxybutanoate

Overview

Molecular Formula C18H21NO10
Molecular Weight 411.40 g/mol
Canonical SMILES CC(CC(=O)OC1C2C(C(C(C1O)O)O)NC(=O)C3=C(C4=C(C=C23)OCO4)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy