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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP029000

[(3S,5S,8R,9S,10S,13R,14S,17R)-10-formyl-14-hydroxy-13-methyl-17-(6-oxopyran-3-yl)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-5-yl] acetate

Formula: C32H44O12  |  Mol. Weight: 620.70 g/mol

IUPAC: [(3S,5S,8R,9S,10S,13R,14S,17R)-10-formyl-14-hydroxy-13-methyl-17-(6-oxopyran-3-yl)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-5-yl] acetate

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Overview

Molecular Formula C32H44O12
Molecular Weight 620.70 g/mol
Canonical SMILES CC(=O)OC12CCC3C(C1(CCC(C2)OC4C(C(C(C(O4)CO)O)O)O)C=O)CCC5(C3(CCC5C6=COC(=O)C=C6)O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy