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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP000431

7-O-deacetylorthosiphol O

Formula: C36H42O10  |  Mol. Weight: 634.70 g/mol

IUPAC: [(2S,3S,4R,4aS,4bS,5R,7R,8aR,9R,10aS)-3-acetyloxy-4-benzoyloxy-7-ethenyl-5,8a,9-trihydroxy-1,1,4a,7-tetramethyl-8-oxo-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthren-2-yl] benzoate

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Overview

Molecular Formula C36H42O10
Molecular Weight 634.70 g/mol
Canonical SMILES CC(=O)OC1C(C(C2CC(C3(C(C2(C1OC(=O)C4=CC=CC=C4)C)C(CC(C3=O)(C)C=C)O)O)O)(C)C)OC(=O)C5=CC=CC=C5

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy