Compound C22H28O5

4-[[(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]-4-oxobutanoic acid

CAS: 7698-93-3

Molecular Formula	`C22H28O5`
Molecular Weight	372.5 g/mol
LogP	4.0
Topological Polar Surface Area	83.8 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	5
Rotatable Bonds	5
Exact Mass	372.19366
Heavy Atoms	27
Complexity	589.0

Chemical Identifiers

CAS Number	7698-93-3
SMILES	`CC12CCC3C(C1CCC2OC(=O)CCC(=O)O)CCC4=C3C=CC(=C4)O`
InChIKey	`YJPIDPAGJSWWBE-FNIAAEIWSA-N`

📖 Product Overview

Compound C22H28O5 (CAS: 7698-93-3) is a chemical compound with molecular formula C22H28O5 and molecular weight 372.5 g/mol. Its IUPAC systematic name is 4-[[(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]-4-oxobutanoic acid. LogP 4.0 Topological Polar Surface Area 83.8 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 5 Rotatable Bonds 5 Exact Mass 372.19366 Heavy Atoms 27 Complexity 589.0 InChI Key: YJPIDPAGJSWWBE-FNIAAEIWSA-N. SMILES: CC12CCC3C(C1CCC2OC(=O)CCC(=O)O)CCC4=C3C=CC(=C4)O.

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