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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP000602

1,2-Dihydrobruceajavanin A

Formula: C34H50O7  |  Mol. Weight: 570.80 g/mol

IUPAC: [(5R,7R,8R,9R,10R,13S,17S)-17-[(2R,3S,5R)-2-acetyloxy-5-[(2S)-3,3-dimethyloxiran-2-yl]oxolan-3-yl]-4,4,8,10,13-pentamethyl-3-oxo-1,2,5,6,7,9,11,12,16,17-decahydrocyclopenta[a]phenanthren-7-yl] acetate

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Overview

Molecular Formula C34H50O7
Molecular Weight 570.80 g/mol
Canonical SMILES CC(=O)OC1CC2C(C(=O)CCC2(C3C1(C4=CCC(C4(CC3)C)C5CC(OC5OC(=O)C)C6C(O6)(C)C)C)C)(C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy