1-[(1R,2R,3As,3Bs,10Ar,10Bs,11S,12As)-1,11-Dihydroxy-2,5,10A,12A-Tetramethyl-7-Phenyl-1,2,3,3A,3B,7,10,10A,10B,11,12,12A-Dodecahydrocyclopenta[5,6]Naphtho[1,2-F]Indazol-1-Yl]-2-Hydroxyethanone

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Properties Simple | Detailed

Formula C27H13N2O4
IUPAC Name 1-[(1r,2r,3as,3bs,10ar,10bs,11s,12as)-1,11-dihydroxy-2,5,10a,12a-tetramethyl-7-phenyl-1,2,3,3a,3b,7,10,10a,10b,11,12,12a-dodecahydrocyclopenta[5,6]naphtho[1,2-f]indazol-1-yl]-2-hydroxyethanone
Molecular Mass 429.403 g·mol−1
Heat of Formation -455.3 ± 16.7 kJ·mol−1
Dipole Moment 6.79 ± 1.08 D
Volume 585.79 Å 3
Surface Area 457.37 Å 2
HOMO Energy -8.55 ± 0.55 eV
LUMO Energy 2.32 ± eV
Point Group Symmetry C1
Synonyms
  • 11beta,17,21-trihydroxy-6,16alpha-dimethyl-2'-phenyl-2'h-pregna-2,4,6-trieno(3,2-c)pyrazol-20-one
  • 2'h-pregna-2,4,6-trieno(3,2-c)pyrazol-20-one, 11,17,21-trihydroxy-6,16-dimethyl-2'-phenyl-, (11beta,16alpha)- (9ci)
  • 6,16a-dimethylpregna-4,6-diene-11b,17a,21-triol-20-one-2'-phenyl-(3,2-c)- pyrazo
  • deacylcortivazol
CAS Number(s)
  • 4906-84-7
InChIKey FKAINCOIINXAOK-UFVJYOHBSA-N
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