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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP004096

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

Formula: C30H52O3  |  Mol. Weight: 460.70 g/mol

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

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Overview

Molecular Formula C30H52O3
Molecular Weight 460.70 g/mol
Canonical SMILES CC1(C2CCC3C(C2(CCC1=O)C)CCC4(C3(CCC4C(C)(CCCC(C)(C)O)O)C)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy