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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP028072

(E,6R)-6-[(3R,5R,9S,10R,13S,17S)-3-hydroxy-4,4,10,13,17-pentamethyl-2,3,5,6,9,11,12,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxohept-2-enoic acid

Formula: C30H44O4  |  Mol. Weight: 468.70 g/mol

IUPAC: (E,6R)-6-[(3R,5R,9S,10R,13S,17S)-3-hydroxy-4,4,10,13,17-pentamethyl-2,3,5,6,9,11,12,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxohept-2-enoic acid

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Overview

Molecular Formula C30H44O4
Molecular Weight 468.70 g/mol
Canonical SMILES CC(CC(=O)C=C(C)C(=O)O)C1(CC=C2C1(CCC3C2=CCC4C3(CCC(C4(C)C)O)C)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy