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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP005484

[3-[(3S,5S,10S,13S,14R)-16-hydroxy-10,13-dimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,5,6,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-1-[2-(2-hydroxypropan-2-yl)-3-methyloxiran-2-yl]butyl] acetate

Formula: C37H58O11  |  Mol. Weight: 678.80 g/mol

IUPAC: [3-[(3S,5S,10S,13S,14R)-16-hydroxy-10,13-dimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,5,6,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-1-[2-(2-hydroxypropan-2-yl)-3-methyloxiran-2-yl]butyl] acetate

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Overview

Molecular Formula C37H58O11
Molecular Weight 678.80 g/mol
Canonical SMILES CC1C(O1)(C(CC(C)C2C(CC3C2(CC=C4C3=CCC5C4(CCC(C5)OC6C(C(C(C(O6)CO)O)O)O)C)C)O)OC(=O)C)C(C)(C)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy