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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP001533

(3aR,4R,6aR,9aR,9bR)-4-[2-hydroxy-3-(4-hydroxyphenyl)propanoyl]-9-methyl-3,6-dimethylidene-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-2-one

Formula: C30H36O11  |  Mol. Weight: 572.60 g/mol

IUPAC: (3aR,4R,6aR,9aR,9bR)-4-[2-hydroxy-3-(4-hydroxyphenyl)propanoyl]-9-methyl-3,6-dimethylidene-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-2-one

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Overview

Molecular Formula C30H36O11
Molecular Weight 572.60 g/mol
Canonical SMILES CC1=C(CC2C1C3C(C(CC2=C)C(=O)C(CC4=CC=C(C=C4)O)O)C(=C)C(=O)O3)OC5C(C(C(C(O5)CO)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy