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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP005006

[(3R,4R,5R,6S)-6-[[(2S,3S,4aR,4bS,7R,8aS)-7-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-ethenyl-2,4b,8,8-tetramethyl-4,4a,5,6,7,8a,9,10-octahydro-3H-phenanthren-3-yl]oxy]-4,5-dihydroxyoxan-3-yl] acetate

Formula: C32H50O11  |  Mol. Weight: 610.70 g/mol

IUPAC: [(3R,4R,5R,6S)-6-[[(2S,3S,4aR,4bS,7R,8aS)-7-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-ethenyl-2,4b,8,8-tetramethyl-4,4a,5,6,7,8a,9,10-octahydro-3H-phenanthren-3-yl]oxy]-4,5-dihydroxyoxan-3-yl] acetate

Overview

Molecular Formula C32H50O11
Molecular Weight 610.70 g/mol
Canonical SMILES CC(=O)OC1COC(C(C1O)O)OC2CC3C(=CC2(C)C=C)CCC4C3(CCC(C4(C)C)OC5C(C(C(O5)CO)O)O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy