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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP001646

[(1S,2S,3aR,5R,6Z,9S,10R,11R,12S,13Z)-3a,9,10,11,12-pentaacetyloxy-2,5,8,8,12-pentamethyl-4-oxo-2,3,5,9,10,11-hexahydro-1H-cyclopenta[12]annulen-1-yl] benzoate

Formula: C37H46O13  |  Mol. Weight: 698.80 g/mol

IUPAC: [(1S,2S,3aR,5R,6Z,9S,10R,11R,12S,13Z)-3a,9,10,11,12-pentaacetyloxy-2,5,8,8,12-pentamethyl-4-oxo-2,3,5,9,10,11-hexahydro-1H-cyclopenta[12]annulen-1-yl] benzoate

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Overview

Molecular Formula C37H46O13
Molecular Weight 698.80 g/mol
Canonical SMILES CC1CC2(C(=CC(C(C(C(C(C=CC(C2=O)C)(C)C)OC(=O)C)OC(=O)C)OC(=O)C)(C)OC(=O)C)C1OC(=O)C3=CC=CC=C3)OC(=O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy