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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP002078

[(1R,2R,5R,6S,7S,8S,10S,12R)-2,6,8,10,12-pentahydroxy-3,7-dimethyl-11-methylidene-14-oxo-4-propan-2-yl-13-oxatetracyclo[5.5.3.01,8.02,6]pentadec-3-en-5-yl] 1H-pyrrole-2-carboxylate

Formula: C25H31NO9  |  Mol. Weight: 489.50 g/mol

IUPAC: [(1R,2R,5R,6S,7S,8S,10S,12R)-2,6,8,10,12-pentahydroxy-3,7-dimethyl-11-methylidene-14-oxo-4-propan-2-yl-13-oxatetracyclo[5.5.3.01,8.02,6]pentadec-3-en-5-yl] 1H-pyrrole-2-carboxylate

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Overview

Molecular Formula C25H31NO9
Molecular Weight 489.50 g/mol
Canonical SMILES CC1=C(C(C2(C1(C34C(C(=C)C(CC3(C2(CC(=O)O4)C)O)O)O)O)O)OC(=O)C5=CC=CN5)C(C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy