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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP030184

[(3aS,3bR,4R,9aR,9bS,11aR)-2-hydroxy-9a,11a-dimethyl-7-oxo-2-[2-[(1S,3R,5R)-5,6,6-trimethyl-1-(2-methylsulfanyl-2-oxoethyl)-2,7,8-trioxabicyclo[3.2.1]octan-3-yl]propanoyl]-3,3a,3b,4,5,9b,10,11-octahydronaphtho[2,1-e][1]benzofuran-4-yl] acetate

Formula: C34H46O10S  |  Mol. Weight: 646.80 g/mol

IUPAC: [(3aS,3bR,4R,9aR,9bS,11aR)-2-hydroxy-9a,11a-dimethyl-7-oxo-2-[2-[(1S,3R,5R)-5,6,6-trimethyl-1-(2-methylsulfanyl-2-oxoethyl)-2,7,8-trioxabicyclo[3.2.1]octan-3-yl]propanoyl]-3,3a,3b,4,5,9b,10,11-octahydronaphtho[2,1-e][1]benzofuran-4-yl] acetate

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Overview

Molecular Formula C34H46O10S
Molecular Weight 646.80 g/mol
Canonical SMILES CC(C1CC2(C(OC(O1)(O2)CC(=O)SC)(C)C)C)C(=O)C3(CC4C5C(CCC4(O3)C)C6(C=CC(=O)C=C6CC5OC(=O)C)C)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy