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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP026035

(5R,10S,13S,14S,17R)-17-[(2S,3R,5S)-5-[(1R)-1,2-dihydroxy-2-methylpropyl]-2-ethoxy-3-hydroxyoxolan-3-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one

Formula: C32H50O6  |  Mol. Weight: 530.70 g/mol

IUPAC: (5R,10S,13S,14S,17R)-17-[(2S,3R,5S)-5-[(1R)-1,2-dihydroxy-2-methylpropyl]-2-ethoxy-3-hydroxyoxolan-3-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one

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Overview

Molecular Formula C32H50O6
Molecular Weight 530.70 g/mol
Canonical SMILES CCOC1C(CC(O1)C(C(C)(C)O)O)(C2CCC3(C2(CC=C4C3=CCC5C4(CCC(=O)C5(C)C)C)C)C)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy