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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP011178

[(3S,5aS,6S,7S,9aS)-6-[2-[(3S,5aS,6S,7R,9aS)-7-acetyloxy-3-hydroxy-2,2,5a,7-tetramethyl-4,5,6,8,9,9a-hexahydro-3H-benzo[b]oxepin-6-yl]ethyl]-7-acetyloxy-2,2,5a,7-tetramethyl-4,5,6,8,9,9a-hexahydro-3H-benzo[b]oxepin-3-yl] acetate

Formula: C36H60O9  |  Mol. Weight: 636.90 g/mol

IUPAC: [(3S,5aS,6S,7S,9aS)-6-[2-[(3S,5aS,6S,7R,9aS)-7-acetyloxy-3-hydroxy-2,2,5a,7-tetramethyl-4,5,6,8,9,9a-hexahydro-3H-benzo[b]oxepin-6-yl]ethyl]-7-acetyloxy-2,2,5a,7-tetramethyl-4,5,6,8,9,9a-hexahydro-3H-benzo[b]oxepin-3-yl] acetate

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Overview

Molecular Formula C36H60O9
Molecular Weight 636.90 g/mol
Canonical SMILES CC(=O)OC1CCC2(C(CCC(C2CCC3C4(CCC(C(OC4CCC3(C)OC(=O)C)(C)C)O)C)(C)OC(=O)C)OC1(C)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy