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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP026106

[(1S,2R,3R,3aS,4R,4aS,4bS,6R,8S,8aS,9aR,10R,10aR)-3,4,8,8a,10-pentaacetyloxy-3a,6-dihydroxy-2,4a,6,9a-tetramethyl-2,3,4,4b,5,7,8,9,10,10a-decahydro-1H-cyclopenta[b]fluoren-1-yl] benzoate

Formula: C37H48O14  |  Mol. Weight: 716.80 g/mol

IUPAC: [(1S,2R,3R,3aS,4R,4aS,4bS,6R,8S,8aS,9aR,10R,10aR)-3,4,8,8a,10-pentaacetyloxy-3a,6-dihydroxy-2,4a,6,9a-tetramethyl-2,3,4,4b,5,7,8,9,10,10a-decahydro-1H-cyclopenta[b]fluoren-1-yl] benzoate

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Overview

Molecular Formula C37H48O14
Molecular Weight 716.80 g/mol
Canonical SMILES CC1C(C2C(C3(CC4(C(C3(C(C2(C1OC(=O)C)O)OC(=O)C)C)CC(CC4OC(=O)C)(C)O)OC(=O)C)C)OC(=O)C)OC(=O)C5=CC=CC=C5

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy