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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP013820

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

Formula: C21H36O8  |  Mol. Weight: 416.50 g/mol

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

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Overview

Molecular Formula C21H36O8
Molecular Weight 416.50 g/mol
Canonical SMILES CC1C2CC(CCC(C2CC1=O)CO)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