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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP014060

[(1S,2S,3aR,4S,5S,6E,9S,10R,11R,12S,13E)-3a,4,9,10,11-pentaacetyloxy-12-hydroxy-2,5,8,8,12-pentamethyl-1,2,3,4,5,9,10,11-octahydrocyclopenta[12]annulen-1-yl] benzoate

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

IUPAC: [(1S,2S,3aR,4S,5S,6E,9S,10R,11R,12S,13E)-3a,4,9,10,11-pentaacetyloxy-12-hydroxy-2,5,8,8,12-pentamethyl-1,2,3,4,5,9,10,11-octahydrocyclopenta[12]annulen-1-yl] benzoate

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Overview

Molecular Formula C37H48O13
Molecular Weight 700.80 g/mol
Canonical SMILES CC1CC2(C(C(C=CC(C(C(C(C(C=C2C1OC(=O)C3=CC=CC=C3)(C)O)OC(=O)C)OC(=O)C)OC(=O)C)(C)C)C)OC(=O)C)OC(=O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy