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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP026081

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

Formula: C37H46O14  |  Mol. Weight: 714.80 g/mol

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

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Overview

Molecular Formula C37H46O14
Molecular Weight 714.80 g/mol
Canonical SMILES CC1C=CC(C(C(C(C(=C)C(C2C(C(CC2(C1=O)OC(=O)C)(C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C3=CC=CC=C3)O)OC(=O)C)(C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy