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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP012377

(5R,6S,8R,8aR)-5-hydroxy-5-(2-hydroxypropan-2-yl)-3,8-dimethyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4,6,7,8,8a-hexahydroazulen-2-one

Formula: C21H34O9  |  Mol. Weight: 430.50 g/mol

IUPAC: (5R,6S,8R,8aR)-5-hydroxy-5-(2-hydroxypropan-2-yl)-3,8-dimethyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4,6,7,8,8a-hexahydroazulen-2-one

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Overview

Molecular Formula C21H34O9
Molecular Weight 430.50 g/mol
Canonical SMILES CC1CC(C(CC2=C(C(=O)CC12)C)(C(C)(C)O)O)OC3C(C(C(C(O3)CO)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy