(5R,6S,7S)-5-(3,4-Dimethoxyphenyl)-4-Methoxy-6,7-Bis(Methoxymethyl)-5,6,7,8-Tetrahydronaphtho[2,3-D][1,3]Dioxole

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Properties Simple | Detailed

Formula C24H30O7
IUPAC Name (5r,6s,7s)-5-(3,4-dimethoxyphenyl)-4-methoxy-6,7-bis(methoxymethyl)-5,6,7,8-tetrahydrobenzo[f][1,3]benzodioxole
Molecular Mass 430.491 g·mol−1
Heat of Formation -934.3 ± 16.7 kJ·mol−1
Dipole Moment 1.54 ± 1.08 D
Volume 515.27 Å 3
Surface Area 415.08 Å 2
HOMO Energy -8.46 ± 0.55 eV
LUMO Energy 0.33 ± eV
Point Group Symmetry C1
Synonyms
  • ( -)-nirtetralin
  • (6s,7s,8r)-8-(3,4-dimethoxyphenyl)-9-methoxy-6,7-bis(methoxymethyl)-5,6,7,8-tetrahydrobenzo[f][1,3]benzodioxole
  • naphtho(2,3-d)-1,3-dioxole, 5-(3,4-dimethoxyphenyl)-5,6,7,8-tetrahydro-4-methoxy-6,7-bis(methoxymethyl)-, (5alpha,6beta,7alpha)-
  • naphtho(2,3-d)-1,3-dioxole, 5-(3,4-dimethoxyphenyl)-5,6,7,8-tetrahydro-4-methoxy-6,7-bis(methoxymethyl)-, (5r,6s,7s)-rel-
CAS Number(s)
  • 78185-63-4
  • 50656-78-5
InChIKey LHQDZANQXMRHIV-LZJOCLMNSA-N
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