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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP037982

3-Dihydrocadambine

Formula: C27H34N2O10  |  Mol. Weight: 546.60 g/mol

IUPAC: methyl (1S,15S,16S,17S,21S)-15-hydroxy-17-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-18-oxa-3,13-diazapentacyclo[11.9.0.02,10.04,9.016,21]docosa-2(10),4,6,8,19-pentaene-20-carboxylate

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Overview

Molecular Formula C27H34N2O10
Molecular Weight 546.60 g/mol
Canonical SMILES COC(=O)C1=COC(C2C1CC3C4=C(CCN3CC2O)C5=CC=CC=C5N4)OC6C(C(C(C(O6)CO)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy