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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP005116

[(1S)-1-[(3S,8R,9S,10R,13R,14S,17S)-3-[(2R,4R,5R,6R)-5-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]ethyl] acetate

Formula: C36H58O10  |  Mol. Weight: 650.80 g/mol

IUPAC: [(1S)-1-[(3S,8R,9S,10R,13R,14S,17S)-3-[(2R,4R,5R,6R)-5-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]ethyl] acetate

Overview

Molecular Formula C36H58O10
Molecular Weight 650.80 g/mol
Canonical SMILES CC1C(C(CC(O1)OC2C(OC(CC2OC)OC3CCC4(C5CCC6(C(CCC6(C5CC=C4C3)O)C(C)OC(=O)C)C)C)C)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy