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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP013948

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

Formula: C32H52O6  |  Mol. Weight: 532.80 g/mol

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

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Overview

Molecular Formula C32H52O6
Molecular Weight 532.80 g/mol
Canonical SMILES CC(=O)OC1(CCC2C(C1CCC3C(=C)CCC4C3(CCC(C(O4)(C)C)O)C)(CCC(=O)C(O2)(C)C)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy