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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP013990

(3S,3aR,5R,8R,8aS)-8-hydroxy-8-(hydroxymethyl)-3-methyl-5-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-1,3,3a,4,5,6,7,8a-octahydroazulen-2-one

Formula: C21H36O9  |  Mol. Weight: 432.50 g/mol

IUPAC: (3S,3aR,5R,8R,8aS)-8-hydroxy-8-(hydroxymethyl)-3-methyl-5-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-1,3,3a,4,5,6,7,8a-octahydroazulen-2-one

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Overview

Molecular Formula C21H36O9
Molecular Weight 432.50 g/mol
Canonical SMILES CC1C2CC(CCC(C2CC1=O)(CO)O)C(C)(C)OC3C(C(C(C(O3)CO)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy