(3R,4Ar,5S,6S,6As,10S,10Ar,10Bs)-6,10,10B-Trihydroxy-3,4A,7,7,10A-Pentamethyl-1-Oxo-3-Vinyldodecahydro-1H-Benzo[F]Chromen-5-Yl 5-(4-Methyl-1-Piperazinyl)Pentanoate

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Properties Simple | Detailed

Formula C30H50N2O7
IUPAC Name [(3r,4ar,5s,6s,6as,10s,10ar,10bs)-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-3-vinyl-5,6,6a,8,9,10-hexahydro-2h-benzo[f]chromen-5-yl] 5-(4-methylpiperazin-1-yl)pentanoate
Molecular Mass 550.727 g·mol−1
Heat of Formation -1352.0 ± 16.7 kJ·mol−1
Dipole Moment 3.27 ± 1.08 D
Volume 679.97 Å 3
Surface Area 520.59 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy 0.74 ± eV
Point Group Symmetry C1
Synonyms
  • 5-(4-methyl-1-piperazinyl)pentanoic acid [(3r,4ar,5s,6s,6as,10s,10ar,10bs)-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-3-vinyl-5,6,6a,8,9,10-hexahydro-2h-benzo[f]chromen-5-yl] ester
  • 5-(4-methylpiperazin-1-yl)valeric acid [(3r,4ar,5s,6s,6as,10s,10ar,10bs)-6,10,10b-trihydroxy-1-keto-3,4a,7,7,10a-pentamethyl-3-vinyl-5,6,6a,8,9,10-hexahydro-2h-benzo[f]chromen-5-yl] ester
  • [(3r,4ar,5s,6s,6as,10s,10ar,10bs)-3-ethenyl-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,6,6a,8,9,10-hexahydro-2h-benzo[f]chromen-5-yl] 5-(4-methylpiperazin-1-yl)pentanoate
  • [(3r,4ar,5s,6s,6as,10s,10ar,10bs)-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-3-vinyl-5,6,6a,8,9,10-hexahydro-2h-benzo[f]chromen-5-yl] 5-(4-methylpiperazin-1-yl)pentanoate
  • fkp
  • methylpiperazinoforskolin
InChIKey UNNWBVSRDSMIDQ-QAMJDCALSA-N
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