Spiro(6H-8,9C-(Iminoethano)Phenanthro(4,5-Bcd)Furan-6,2'-(2H)Inden)-5(4Ah)-One, 12-(Cyclopropylmethyl)-1',3',7,7A,8,9-Hexahydro-3,7A-Dihydroxy-, (4Ar,7As,8R,9Cs)-

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Formula C28H29NO4
IUPAC Name (3r,4r,4as,7ar,12bs)-3-(cyclopropylmethyl)-4a,9-dihydroxy-spiro[1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-6,2'-indane-5,6-diide]-7-one
Molecular Mass 443.534 g·mol−1
Heat of Formation 44.4 ± 16.7 kJ·mol−1
Dipole Moment 7.25 ± 1.08 D
Volume 511.89 Å 3
Surface Area 401.9 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy -0.18 ± eV
Point Group Symmetry C1
Synonyms
  • 17-cyclopropylmethyl-4,5-epoxy-3,14-dihydroxymorphinan-6-one-7-spiro-2'-indan
  • n-(cyclopropylmethyl)-n-demethyl-7-spiro(indanyloxymorphone)
  • nal-7-spiro-2'-indan
  • spiro(6h-8,9c-(iminoethano)phenanthro(4,5-bcd)furan-6,2'-(2h)inden)-5(4ah)-one, 12-(cyclopropylmethyl)-1',3',7,7a,8,9-hexahydro-3,7a-dihydroxy-, (4ar-(4aalpha,7aalpha,8alpha,9calpha))-
CAS Number(s)
  • 153567-07-8
InChIKey WLGQGKOZUDOESI-NZHOUOPXSA-N
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