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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP001841

(5R,8R,9R,10R,13R,14R,17S)-17-[(E,2S)-6-hydroperoxy-2-hydroxy-6-methylhept-4-en-2-yl]-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

Formula: C30H50O4  |  Mol. Weight: 474.70 g/mol

IUPAC: (5R,8R,9R,10R,13R,14R,17S)-17-[(E,2S)-6-hydroperoxy-2-hydroxy-6-methylhept-4-en-2-yl]-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

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Overview

Molecular Formula C30H50O4
Molecular Weight 474.70 g/mol
Canonical SMILES CC1(C2CCC3(C(C2(CCC1=O)C)CCC4C3(CCC4C(C)(CC=CC(C)(C)OO)O)C)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy