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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP026321

methyl (3S,4aS,5R,6R,6aS,7S,11aS,11bR)-6-acetyloxy-3-benzoyloxy-4a,5-dihydroxy-4,4,11b-trimethyl-2,3,5,6,6a,7,11,11a-octahydro-1H-naphtho[2,1-f][1]benzofuran-7-carboxylate

Formula: C30H36O9  |  Mol. Weight: 540.60 g/mol

IUPAC: methyl (3S,4aS,5R,6R,6aS,7S,11aS,11bR)-6-acetyloxy-3-benzoyloxy-4a,5-dihydroxy-4,4,11b-trimethyl-2,3,5,6,6a,7,11,11a-octahydro-1H-naphtho[2,1-f][1]benzofuran-7-carboxylate

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Overview

Molecular Formula C30H36O9
Molecular Weight 540.60 g/mol
Canonical SMILES CC(=O)OC1C2C(CC3=C(C2C(=O)OC)C=CO3)C4(CCC(C(C4(C1O)O)(C)C)OC(=O)C5=CC=CC=C5)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy