(5S,8R,9R,10S,13S,14S,17R)-17-ethynyl-17-hydroxy-13-methyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-one

CAS: 52-79-9

Molecular Formula	`C20H28O2`
Molecular Weight	300.4 g/mol
LogP	3.3
Topological Polar Surface Area	37.3 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	2
Rotatable Bonds	1
Exact Mass	300.20892
Heavy Atoms	22
Complexity	543.0

Chemical Identifiers

CAS Number	52-79-9
SMILES	`CC12CCC3C(C1CCC2(C#C)O)CCC4C3CCC(=O)C4`
InChIKey	`OMGILQMNIZWNOK-XDQPPUBWSA-N`

📖 Product Overview

(5S,8R,9R,10S,13S,14S,17R)-17-ethynyl-17-hydroxy-13-methyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-one (CAS: 52-79-9) is a chemical compound with molecular formula C20H28O2 and molecular weight 300.4 g/mol. Its IUPAC systematic name is (5S,8R,9R,10S,13S,14S,17R)-17-ethynyl-17-hydroxy-13-methyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-one. LogP 3.3 Topological Polar Surface Area 37.3 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 2 Rotatable Bonds 1 Exact Mass 300.20892 Heavy Atoms 22 Complexity 543.0 InChI Key: OMGILQMNIZWNOK-XDQPPUBWSA-N. SMILES: CC12CCC3C(C1CCC2(C#C)O)CCC4C3CCC(=O)C4.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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Technical Blog Article

Multi-source research profile: chemical properties, regulatory status, and sourcing guide for (5S,8R,9R,10S,13S,14S,17R)-17-ethynyl-17-hydroxy-13-methyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-one.

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