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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP010839

methyl (1S,3R,3aS,8aR)-3-(2-methoxy-2-oxoethyl)-8a-methyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,3a,4,7,8-hexahydro-1H-azulene-6-carboxylate

Formula: C22H34O10  |  Mol. Weight: 458.50 g/mol

IUPAC: methyl (1S,3R,3aS,8aR)-3-(2-methoxy-2-oxoethyl)-8a-methyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,3a,4,7,8-hexahydro-1H-azulene-6-carboxylate

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Overview

Molecular Formula C22H34O10
Molecular Weight 458.50 g/mol
Canonical SMILES CC12CCC(=CCC1C(CC2OC3C(C(C(C(O3)CO)O)O)O)CC(=O)OC)C(=O)OC

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy