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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP037262

Turrapubesin A

Formula: C31H39ClO9  |  Mol. Weight: 591.10 g/mol

IUPAC: methyl 2-[(1R,2S)-2-[(1S,3R,5R,6R,7R,7aS)-6,7-diacetyloxy-4-(chloromethyl)-1-(furan-3-yl)-3-hydroxy-7a-methyl-1,2,3,5,6,7-hexahydroinden-5-yl]-2,6,6-trimethyl-5-oxocyclohex-3-en-1-yl]acetate

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Overview

Molecular Formula C31H39ClO9
Molecular Weight 591.10 g/mol
Canonical SMILES CC(=O)OC1C(C(=C2C(CC(C2(C1OC(=O)C)C)C3=COC=C3)O)CCl)C4(C=CC(=O)C(C4CC(=O)OC)(C)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy