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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP039060

(3S,3aR,7S,8aR)-6-[(1R,3R)-1-hydroxy-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-3,7-dimethyl-3,3a,4,7,8,8a-hexahydrocyclohepta[b]furan-2-one

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

IUPAC: (3S,3aR,7S,8aR)-6-[(1R,3R)-1-hydroxy-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-3,7-dimethyl-3,3a,4,7,8,8a-hexahydrocyclohepta[b]furan-2-one

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Overview

Molecular Formula C21H34O9
Molecular Weight 430.50 g/mol
Canonical SMILES CC1CC2C(CC=C1C(CC(C)OC3C(C(C(C(O3)CO)O)O)O)O)C(C(=O)O2)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy