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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP012278

orthosiphol I

Formula: C31H38O10  |  Mol. Weight: 570.60 g/mol

IUPAC: [(2S,3S,4R,4aS,4bR,7R,8aR,9R,10aS)-2,3-diacetyloxy-7-ethenyl-8a,9-dihydroxy-1,1,4a,7-tetramethyl-5,8-dioxo-2,3,4,4b,6,9,10,10a-octahydrophenanthren-4-yl] benzoate

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Overview

Molecular Formula C31H38O10
Molecular Weight 570.60 g/mol
Canonical SMILES CC(=O)OC1C(C(C2CC(C3(C(C2(C1OC(=O)C4=CC=CC=C4)C)C(=O)CC(C3=O)(C)C=C)O)O)(C)C)OC(=O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy