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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP003766

(5R,9R,10R,13S,14S,16S,17S)-16-hydroxy-17-[(1S,2R,3R)-2-hydroxy-3-(2-hydroxypropan-2-yl)cyclopentyl]-4,4,10,13,14-pentamethyl-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one

Formula: C30H48O4  |  Mol. Weight: 472.70 g/mol

IUPAC: (5R,9R,10R,13S,14S,16S,17S)-16-hydroxy-17-[(1S,2R,3R)-2-hydroxy-3-(2-hydroxypropan-2-yl)cyclopentyl]-4,4,10,13,14-pentamethyl-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one

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Overview

Molecular Formula C30H48O4
Molecular Weight 472.70 g/mol
Canonical SMILES CC1(C2CC=C3C(C2(CCC1=O)C)CCC4(C3(CC(C4C5CCC(C5O)C(C)(C)O)O)C)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy