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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP020020

(1aR,3R,3aR,4R,5R,6R,7aS)-4,5-diacetyloxy-6-[(3R,4R)-3-(2-methoxy-2-oxoethyl)-2,2,4-trimethyl-7-oxo-3H-oxepin-4-yl]-3a-methyl-7-methylidene-1a,2,3,4,5,6-hexahydroindeno[3,3a-b]oxirene-3-carboxylic acid

Formula: C28H36O11  |  Mol. Weight: 548.60 g/mol

IUPAC: (1aR,3R,3aR,4R,5R,6R,7aS)-4,5-diacetyloxy-6-[(3R,4R)-3-(2-methoxy-2-oxoethyl)-2,2,4-trimethyl-7-oxo-3H-oxepin-4-yl]-3a-methyl-7-methylidene-1a,2,3,4,5,6-hexahydroindeno[3,3a-b]oxirene-3-carboxylic acid

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Overview

Molecular Formula C28H36O11
Molecular Weight 548.60 g/mol
Canonical SMILES CC(=O)OC1C(C(=C)C23C(O2)CC(C3(C1OC(=O)C)C)C(=O)O)C4(C=CC(=O)OC(C4CC(=O)OC)(C)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy