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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP012976

5,8,9,10,14-Pentaacetoxy-3-benzoyloxy-15-hydroxypepluane

Formula: C37H48O13  |  Mol. Weight: 700.80 g/mol

IUPAC: [(1S,2S,3aR,4R,4aS,4bS,6R,8S,8aS,9aR,10R,10aR)-4,6,8,8a,10-pentaacetyloxy-3a-hydroxy-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 C37H48O13
Molecular Weight 700.80 g/mol
Canonical SMILES CC1CC2(C(C1OC(=O)C3=CC=CC=C3)C(C4(CC5(C(C4(C2OC(=O)C)C)CC(CC5OC(=O)C)(C)OC(=O)C)OC(=O)C)C)OC(=O)C)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy