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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP030409

[(3R,8S,9S,10R,13S,14S,17R)-10,13-dimethyl-17-[(1R,4R,5R)-1-methyl-8-methylidene-7-oxo-2,6-dioxabicyclo[3.3.1]nonan-4-yl]-1-oxo-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] hydrogen sulfate

Formula: C28H38O8S  |  Mol. Weight: 534.70 g/mol

IUPAC: [(3R,8S,9S,10R,13S,14S,17R)-10,13-dimethyl-17-[(1R,4R,5R)-1-methyl-8-methylidene-7-oxo-2,6-dioxabicyclo[3.3.1]nonan-4-yl]-1-oxo-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] hydrogen sulfate

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Overview

Molecular Formula C28H38O8S
Molecular Weight 534.70 g/mol
Canonical SMILES CC12CCC3C(C1CCC2C4COC5(CC4OC(=O)C5=C)C)CC=C6C3(C(=O)CC(C6)OS(=O)(=O)O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy