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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP037379

methyl 2-[(1R,6R)-4-[(R)-acetyloxy-[(1R,5R,8aR)-1-(furan-3-yl)-5-hydroxy-8a-methyl-3,6-dioxo-7,8-dihydro-1H-isochromen-5-yl]methyl]-2,2,6-trimethyl-5-oxocyclohex-3-en-1-yl]acetate

Formula: C29H34O10  |  Mol. Weight: 542.60 g/mol

IUPAC: methyl 2-[(1R,6R)-4-[(R)-acetyloxy-[(1R,5R,8aR)-1-(furan-3-yl)-5-hydroxy-8a-methyl-3,6-dioxo-7,8-dihydro-1H-isochromen-5-yl]methyl]-2,2,6-trimethyl-5-oxocyclohex-3-en-1-yl]acetate

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Overview

Molecular Formula C29H34O10
Molecular Weight 542.60 g/mol
Canonical SMILES CC1C(C(C=C(C1=O)C(C2(C(=O)CCC3(C2=CC(=O)OC3C4=COC=C4)C)O)OC(=O)C)(C)C)CC(=O)OC

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy