Spiro(Estra-4,9-Diene-17,2'(3'H)-Furan)-3-One, 11-(4-(Dimethylamino)Phenyl)-4',5'-Dihydro-7-Methyl-, (7β,11β,17β)-

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Properties Simple | Detailed

Formula C30H37NO2
IUPAC Name (7s,8s,11r,13s,14s,17r)-11-(4-dimethylaminophenyl)-7,13-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 -297.1 ± 16.7 kJ·mol−1
Dipole Moment 4.97 ± 1.08 D
Volume 567.4 Å 3
Surface Area 440.28 Å 2
HOMO Energy -8.29 ± 0.55 eV
LUMO Energy 2.71 ± eV
Point Group Symmetry C1
Synonyms
  • (7s,8s,11r,13s,14s,17r)-11-(4-dimethylaminophenyl)-7,13-dimethyl-3-spiro[1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-17,2'-tetrahydrofuran]one
  • (7s,8s,11r,13s,14s,17r)-11-(4-dimethylaminophenyl)-7,13-dimethyl-spiro[1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-17,2'-oxolane]-3-one
  • (7s,8s,11r,13s,14s,17r)-11-(4-dimethylaminophenyl)-7,13-dimethyl-spiro[1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-17,2'-tetrahydrofuran]-3-one
  • 11-(4-dimethylaminophenyl)-7-methyl-4',5'-dihydro(estra-4,9-diene-17,2'-(3h)-furan)-3-one
  • org 31806
  • org-31806
CAS Number(s)
  • 123916-70-1
InChIKey WFPOBMHQGIPWFB-GCLUAJDJSA-N
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