(17β)-17-(Diisopropylcarbamoyl)Androsta-3,5-Diene-3-Carboxylic Acid

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Properties Simple | Detailed

Formula C27H41NO3
IUPAC Name (8s,9s,10r,13s,14s,17s)-17-(diisopropylcarbamoyl)-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1h-cyclopenta[a]phenanthrene-3-carboxylic acid
Molecular Mass 427.619 g·mol−1
Heat of Formation -732.6 ± 16.7 kJ·mol−1
Dipole Moment 5.03 ± 1.08 D
Volume 560.76 Å 3
Surface Area 432.26 Å 2
HOMO Energy -9.12 ± 0.55 eV
LUMO Energy -0.48 ± eV
Point Group Symmetry C1
Synonyms
  • (8s,9s,10r,13s,14s,17s)-17-(diisopropylcarbamoyl)-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1h-cyclopenta[a]phenanthrene-3-carboxylic acid
  • (8s,9s,10r,13s,14s,17s)-17-[(diisopropylamino)-oxomethyl]-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1h-cyclopenta[a]phenanthrene-3-carboxylic acid
  • (8s,9s,10r,13s,14s,17s)-17-[di(propan-2-yl)carbamoyl]-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1h-cyclopenta[a]phenanthrene-3-carboxylic acid
  • 17-(n,n,-diisopropylcarbamoyl)androst-3,5-diene-3-carboxylic acid
  • androsta-3,5-diene-3-carboxylic acid, 17-((bis(1-methylethyl)amino)carbonyl)-, (17beta)-
  • dcadc
CAS Number(s)
  • 119190-36-2
InChIKey JDAULUKGZUDSNK-JRZBRKEGSA-N
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