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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP008970

(3R,3aR,6E,9S,10E,11aR)-3-hydroxy-6-(hydroxymethyl)-3,10-dimethyl-9-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one

Formula: C21H32O10  |  Mol. Weight: 444.50 g/mol

IUPAC: (3R,3aR,6E,9S,10E,11aR)-3-hydroxy-6-(hydroxymethyl)-3,10-dimethyl-9-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one

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Overview

Molecular Formula C21H32O10
Molecular Weight 444.50 g/mol
Canonical SMILES CC1=CC2C(CCC(=CCC1OC3C(C(C(C(O3)CO)O)O)O)CO)C(C(=O)O2)(C)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy