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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP000834

[(1S,2R,5R,6R,7R,9R,10S,11S,13R)-2,9,11-triacetyloxy-1,5-dihydroxy-4,12,12,15-tetramethyl-8-methylidene-14-oxo-10-phenylmethoxy-16-oxatricyclo[11.2.1.02,6]hexadecan-7-yl] acetate

Formula: C35H46O13  |  Mol. Weight: 674.70 g/mol

IUPAC: [(1S,2R,5R,6R,7R,9R,10S,11S,13R)-2,9,11-triacetyloxy-1,5-dihydroxy-4,12,12,15-tetramethyl-8-methylidene-14-oxo-10-phenylmethoxy-16-oxatricyclo[11.2.1.02,6]hexadecan-7-yl] acetate

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Overview

Molecular Formula C35H46O13
Molecular Weight 674.70 g/mol
Canonical SMILES CC1CC2(C(C1O)C(C(=C)C(C(C(C(C3C(=O)C(C2(O3)O)C)(C)C)OC(=O)C)OCC4=CC=CC=C4)OC(=O)C)OC(=O)C)OC(=O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy