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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP007889

[(3R,4R,4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-4-benzoyloxy-5,10-dihydroxy-4a-(hydroxymethyl)-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-3-yl] benzoate

Formula: C44H58O7  |  Mol. Weight: 698.90 g/mol

IUPAC: [(3R,4R,4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-4-benzoyloxy-5,10-dihydroxy-4a-(hydroxymethyl)-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-3-yl] benzoate

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Overview

Molecular Formula C44H58O7
Molecular Weight 698.90 g/mol
Canonical SMILES CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CC(C2(C(C1OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7)CO)O)C)C)(C)C)O)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy