(6R,8S,11R,13S,14S,17R)-11-[4-(Dimethylamino)Phenyl]-6,13-Dimethyl-1,4',5',6,7,8,11,12,13,14,15,16-Dodecahydro-3'H-Spiro[Cyclopenta[A]Phenanthrene-17,2'-Furan]-3(2H)-One

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Properties Simple | Detailed

Formula C30H37NO2
IUPAC Name (6r,8s,11r,13s,14s,17r)-11-(4-dimethylaminophenyl)-6,13-dimethylspiro[1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-17,2'-oxolane]-3-one
Molecular Mass 443.620 g·mol−1
Heat of Formation -298.3 ± 16.7 kJ·mol−1
Dipole Moment 5.01 ± 1.08 D
Volume 566.38 Å 3
Surface Area 439.77 Å 2
HOMO Energy -8.18 ± 0.55 eV
LUMO Energy 2.71 ± eV
Point Group Symmetry C1
Synonyms
  • (6r,8s,11r,13s,14s,17r)-11-(4-dimethylaminophenyl)-6,13-dimethyl-3-spiro[1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-17,2'-tetrahydrofuran]one
  • (6r,8s,11r,13s,14s,17r)-11-(4-dimethylaminophenyl)-6,13-dimethyl-spiro[1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-17,2'-oxolane]-3-one
  • (6r,8s,11r,13s,14s,17r)-11-(4-dimethylaminophenyl)-6,13-dimethyl-spiro[1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-17,2'-tetrahydrofuran]-3-one
  • 11-(4-dimethylaminophenyl)-6-methyl-4',5'-dihydro(estra-4,9-diene-17,2'-(3h)-furan)-3-one
  • org 31710
  • org-31710
  • spiro(estra-4,9-diene-17,2'(3'h)-furan)-3-one, 11-(4-(dimethylamino)phenyl)-4',5'-dihydro-6-methyl-, (6beta,11beta,17beta)-
CAS Number(s)
  • 118968-41-5
InChIKey HFDGABTZPISMDD-IEVXGSBISA-N
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